+Table of Contents

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Orientation Z

Symmetry Operations

In the Cs Point Group, with orientation Z there are the following symmetry operations

Operator	Orientation
$\text{E}$	$\{0,0,0\}$ ,
$\sigma _h$	$\{0,0,1\}$ ,

Different Settings

Character Table

	$\text{E} \,{\text{(1)}}$	$\sigma_h \,{\text{(1)}}$
$\text{A'}$	$1$	$1$
$\text{A''}$	$1$	$-1$

Product Table

	$\text{A'}$	$\text{A''}$
$\text{A'}$	$\text{A'}$	$\text{A''}$
$\text{A''}$	$\text{A''}$	$\text{A'}$

Sub Groups with compatible settings

Point Group C1 with orientation 1

Super Groups with compatible settings

Invariant Potential expanded on renormalized spherical Harmonics

Any potential (function) can be written as a sum over spherical harmonics. $V(r,\theta,\phi) = \sum_{k=0}^{\infty} \sum_{m=-k}^{k} A_{k,m}(r) C^{(m)}_k(\theta,\phi)$ Here $A_{k,m}(r)$ is a radial function and $C^{(m)}_k(\theta,\phi)$ a renormalised spherical harmonics. $C^{(m)}_k(\theta,\phi)=\sqrt{\frac{4\pi}{2k+1}}Y^{(m)}_k(\theta,\phi)$ The presence of symmetry induces relations between the expansion coefficients such that $V(r,\theta,\phi)$ is invariant under all symmetry operations. For the Cs Point group with orientation Z the form of the expansion coefficients is:

Input format suitable for Mathematica (Quanty.nb)

$A_{k,m} = \begin{cases} A(0,0) & k=0\land m=0 \\ -A(1,1)+i \text{Ap}(1,1) & k=1\land m=-1 \\ A(1,1)+i \text{Ap}(1,1) & k=1\land m=1 \\ A(2,2)-i \text{Ap}(2,2) & k=2\land m=-2 \\ A(2,0) & k=2\land m=0 \\ A(2,2)+i \text{Ap}(2,2) & k=2\land m=2 \\ -A(3,3)+i \text{Ap}(3,3) & k=3\land m=-3 \\ -A(3,1)+i \text{Ap}(3,1) & k=3\land m=-1 \\ A(3,1)+i \text{Ap}(3,1) & k=3\land m=1 \\ A(3,3)+i \text{Ap}(3,3) & k=3\land m=3 \\ A(4,4)-i \text{Ap}(4,4) & k=4\land m=-4 \\ A(4,2)-i \text{Ap}(4,2) & k=4\land m=-2 \\ A(4,0) & k=4\land m=0 \\ A(4,2)+i \text{Ap}(4,2) & k=4\land m=2 \\ A(4,4)+i \text{Ap}(4,4) & k=4\land m=4 \\ -A(5,5)+i \text{Ap}(5,5) & k=5\land m=-5 \\ -A(5,3)+i \text{Ap}(5,3) & k=5\land m=-3 \\ -A(5,1)+i \text{Ap}(5,1) & k=5\land m=-1 \\ A(5,1)+i \text{Ap}(5,1) & k=5\land m=1 \\ A(5,3)+i \text{Ap}(5,3) & k=5\land m=3 \\ A(5,5)+i \text{Ap}(5,5) & k=5\land m=5 \\ A(6,6)-i \text{Ap}(6,6) & k=6\land m=-6 \\ A(6,4)-i \text{Ap}(6,4) & k=6\land m=-4 \\ A(6,2)-i \text{Ap}(6,2) & k=6\land m=-2 \\ A(6,0) & k=6\land m=0 \\ A(6,2)+i \text{Ap}(6,2) & k=6\land m=2 \\ A(6,4)+i \text{Ap}(6,4) & k=6\land m=4 \\ A(6,6)+i \text{Ap}(6,6) & k=6\land m=6 \end{cases}$

Input format suitable for Quanty

Akm_Cs_Z.Quanty

Akm = {{0, 0, A(0,0)} , 
       {1,-1, (-1)*(A(1,1)) + (I)*(Ap(1,1))} , 
       {1, 1, A(1,1) + (I)*(Ap(1,1))} , 
       {2, 0, A(2,0)} , 
       {2,-2, A(2,2) + (-I)*(Ap(2,2))} , 
       {2, 2, A(2,2) + (I)*(Ap(2,2))} , 
       {3,-1, (-1)*(A(3,1)) + (I)*(Ap(3,1))} , 
       {3, 1, A(3,1) + (I)*(Ap(3,1))} , 
       {3,-3, (-1)*(A(3,3)) + (I)*(Ap(3,3))} , 
       {3, 3, A(3,3) + (I)*(Ap(3,3))} , 
       {4, 0, A(4,0)} , 
       {4,-2, A(4,2) + (-I)*(Ap(4,2))} , 
       {4, 2, A(4,2) + (I)*(Ap(4,2))} , 
       {4,-4, A(4,4) + (-I)*(Ap(4,4))} , 
       {4, 4, A(4,4) + (I)*(Ap(4,4))} , 
       {5,-1, (-1)*(A(5,1)) + (I)*(Ap(5,1))} , 
       {5, 1, A(5,1) + (I)*(Ap(5,1))} , 
       {5,-3, (-1)*(A(5,3)) + (I)*(Ap(5,3))} , 
       {5, 3, A(5,3) + (I)*(Ap(5,3))} , 
       {5,-5, (-1)*(A(5,5)) + (I)*(Ap(5,5))} , 
       {5, 5, A(5,5) + (I)*(Ap(5,5))} , 
       {6, 0, A(6,0)} , 
       {6,-2, A(6,2) + (-I)*(Ap(6,2))} , 
       {6, 2, A(6,2) + (I)*(Ap(6,2))} , 
       {6,-4, A(6,4) + (-I)*(Ap(6,4))} , 
       {6, 4, A(6,4) + (I)*(Ap(6,4))} , 
       {6,-6, A(6,6) + (-I)*(Ap(6,6))} , 
       {6, 6, A(6,6) + (I)*(Ap(6,6))} }

One particle coupling on a basis of spherical harmonics

The operator representing the potential in second quantisation is given as: $O = \sum_{n'',l'',m'',n',l',m'} \left\langle \psi_{n'',l'',m''}(r,\theta,\phi) \left| V(r,\theta,\phi) \right| \psi_{n',l',m'}(r,\theta,\phi) \right\rangle a^{\dagger}_{n'',l'',m''}a^{\phantom{\dagger}}_{n',l',m'}$ For the quantisation of the wave-function (physical meaning of the indices n,l,m) we can choose a basis of spherical harmonics times some radial function, i.e. $\psi_{n,l,m}(r,\theta,\phi)=R_{n,l}(r)Y_{m}^{(l)}(\theta,\phi)$ . With this choice the integral for the expectation value in front of the creation and annihilation operators separates into a radial part and angular part. The angular part has an analytical solution, the radial integral is cast int a parameter. $A_{n''l'',n'l'}(k,m) = \left\langle R_{n'',l''} \left| A_{k,m}(r) \right| R_{n',l'} \right\rangle$ Note the difference between the function $A_{k,m}$ and the parameter $A_{n''l'',n'l'}(k,m)$

we can express the operator as $O = \sum_{n'',l'',m'',n',l',m',k,m} A_{n''l'',n'l'}(k,m) \left\langle Y_{l''}^{(m'')}(\theta,\phi) \left| C_{k}^{(m)}(\theta,\phi) \right| Y_{l'}^{(m')}(\theta,\phi) \right\rangle a^{\dagger}_{n'',l'',m''}a^{\phantom{\dagger}}_{n',l',m'}$

The table below shows the expectation value of $O$ on a basis of spherical harmonics. We suppressed the principle quantum number indices. Note that in principle $A_{l'',l'}(k,m)$ can be complex. Instead of allowing complex parameters we took $A_{l'',l'}(k,m) + \mathrm{I}\, B_{l'',l'}(k,m)$ (with both A and B real) as the expansion parameter.

	${Y_{0}^{(0)}}$	${Y_{-1}^{(1)}}$	${Y_{0}^{(1)}}$	${Y_{1}^{(1)}}$	${Y_{-2}^{(2)}}$	${Y_{-1}^{(2)}}$	${Y_{0}^{(2)}}$	${Y_{1}^{(2)}}$	${Y_{2}^{(2)}}$	${Y_{-3}^{(3)}}$	${Y_{-2}^{(3)}}$	${Y_{-1}^{(3)}}$	${Y_{0}^{(3)}}$	${Y_{1}^{(3)}}$	${Y_{2}^{(3)}}$	${Y_{3}^{(3)}}$
${Y_{0}^{(0)}}$	$\text{Ass}(0,0)$	$\color{darkred}{ -\frac{\text{Asp}(1,1)+i \text{Bsp}(1,1)}{\sqrt{3}} }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\frac{-\text{Asp}(1,1)+i \text{Bsp}(1,1)}{\sqrt{3}} }$	$\frac{\text{Asd}(2,2)+i \text{Bsd}(2,2)}{\sqrt{5}}$	$0$	$\frac{\text{Asd}(2,0)}{\sqrt{5}}$	$0$	$\frac{\text{Asd}(2,2)-i \text{Bsd}(2,2)}{\sqrt{5}}$	$\color{darkred}{ -\frac{\text{Asf}(3,3)+i \text{Bsf}(3,3)}{\sqrt{7}} }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\frac{\text{Asf}(3,1)+i \text{Bsf}(3,1)}{\sqrt{7}} }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\frac{-\text{Asf}(3,1)+i \text{Bsf}(3,1)}{\sqrt{7}} }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\frac{-\text{Asf}(3,3)+i \text{Bsf}(3,3)}{\sqrt{7}} }$
${Y_{-1}^{(1)}}$	$\color{darkred}{ \frac{-\text{Asp}(1,1)+i \text{Bsp}(1,1)}{\sqrt{3}} }$	$\text{App}(0,0)-\frac{1}{5} \text{App}(2,0)$	$0$	$-\frac{1}{5} \sqrt{6} (\text{App}(2,2)-i \text{Bpp}(2,2))$	$\color{darkred}{ \frac{1}{7} \sqrt{\frac{3}{5}} (\text{Apd}(3,1)+i \text{Bpd}(3,1))-\sqrt{\frac{2}{5}} (\text{Apd}(1,1)+i \text{Bpd}(1,1)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{3}{7} \sqrt{\frac{2}{5}} (-\text{Apd}(3,1)+i \text{Bpd}(3,1))-\frac{-\text{Apd}(1,1)+i \text{Bpd}(1,1)}{\sqrt{15}} }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{3}{7} (-\text{Apd}(3,3)+i \text{Bpd}(3,3)) }$	$\frac{3 (\text{Apf}(2,2)+i \text{Bpf}(2,2))}{\sqrt{35}}-\frac{\text{Apf}(4,2)+i \text{Bpf}(4,2)}{3 \sqrt{21}}$	$0$	$\frac{3}{5} \sqrt{\frac{2}{7}} \text{Apf}(2,0)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,0)$	$0$	$\frac{1}{5} \sqrt{\frac{3}{7}} (\text{Apf}(2,2)-i \text{Bpf}(2,2))-\frac{1}{3} \sqrt{\frac{5}{7}} (\text{Apf}(4,2)-i \text{Bpf}(4,2))$	$0$	$-\frac{2 (\text{Apf}(4,4)-i \text{Bpf}(4,4))}{3 \sqrt{3}}$
${Y_{0}^{(1)}}$	$\color{darkred}{ 0 }$	$0$	$\text{App}(0,0)+\frac{2}{5} \text{App}(2,0)$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\frac{\text{Apd}(1,1)+i \text{Bpd}(1,1)}{\sqrt{5}}-\frac{2}{7} \sqrt{\frac{6}{5}} (\text{Apd}(3,1)+i \text{Bpd}(3,1)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\frac{-\text{Apd}(1,1)+i \text{Bpd}(1,1)}{\sqrt{5}}-\frac{2}{7} \sqrt{\frac{6}{5}} (-\text{Apd}(3,1)+i \text{Bpd}(3,1)) }$	$\color{darkred}{ 0 }$	$0$	$\sqrt{\frac{3}{35}} (\text{Apf}(2,2)+i \text{Bpf}(2,2))+\frac{2 (\text{Apf}(4,2)+i \text{Bpf}(4,2))}{3 \sqrt{7}}$	$0$	$\frac{3}{5} \sqrt{\frac{3}{7}} \text{Apf}(2,0)+\frac{4 \text{Apf}(4,0)}{3 \sqrt{21}}$	$0$	$\sqrt{\frac{3}{35}} (\text{Apf}(2,2)-i \text{Bpf}(2,2))+\frac{2 (\text{Apf}(4,2)-i \text{Bpf}(4,2))}{3 \sqrt{7}}$	$0$
${Y_{1}^{(1)}}$	$\color{darkred}{ \frac{\text{Asp}(1,1)+i \text{Bsp}(1,1)}{\sqrt{3}} }$	$-\frac{1}{5} \sqrt{6} (\text{App}(2,2)+i \text{Bpp}(2,2))$	$0$	$\text{App}(0,0)-\frac{1}{5} \text{App}(2,0)$	$\color{darkred}{ \frac{3}{7} (\text{Apd}(3,3)+i \text{Bpd}(3,3)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{3}{7} \sqrt{\frac{2}{5}} (\text{Apd}(3,1)+i \text{Bpd}(3,1))-\frac{\text{Apd}(1,1)+i \text{Bpd}(1,1)}{\sqrt{15}} }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{1}{7} \sqrt{\frac{3}{5}} (-\text{Apd}(3,1)+i \text{Bpd}(3,1))-\sqrt{\frac{2}{5}} (-\text{Apd}(1,1)+i \text{Bpd}(1,1)) }$	$-\frac{2 (\text{Apf}(4,4)+i \text{Bpf}(4,4))}{3 \sqrt{3}}$	$0$	$\frac{1}{5} \sqrt{\frac{3}{7}} (\text{Apf}(2,2)+i \text{Bpf}(2,2))-\frac{1}{3} \sqrt{\frac{5}{7}} (\text{Apf}(4,2)+i \text{Bpf}(4,2))$	$0$	$\frac{3}{5} \sqrt{\frac{2}{7}} \text{Apf}(2,0)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,0)$	$0$	$\frac{3 (\text{Apf}(2,2)-i \text{Bpf}(2,2))}{\sqrt{35}}-\frac{\text{Apf}(4,2)-i \text{Bpf}(4,2)}{3 \sqrt{21}}$
${Y_{-2}^{(2)}}$	$\frac{\text{Asd}(2,2)-i \text{Bsd}(2,2)}{\sqrt{5}}$	$\color{darkred}{ \sqrt{\frac{2}{5}} (-\text{Apd}(1,1)+i \text{Bpd}(1,1))-\frac{1}{7} \sqrt{\frac{3}{5}} (-\text{Apd}(3,1)+i \text{Bpd}(3,1)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\frac{3}{7} (-\text{Apd}(3,3)+i \text{Bpd}(3,3)) }$	$\text{Add}(0,0)-\frac{2}{7} \text{Add}(2,0)+\frac{1}{21} \text{Add}(4,0)$	$0$	$\frac{1}{7} \sqrt{\frac{5}{3}} (\text{Add}(4,2)-i \text{Bdd}(4,2))-\frac{2}{7} (\text{Add}(2,2)-i \text{Bdd}(2,2))$	$0$	$\frac{1}{3} \sqrt{\frac{10}{7}} (\text{Add}(4,4)-i \text{Bdd}(4,4))$	$\color{darkred}{ -\sqrt{\frac{3}{7}} (\text{Adf}(1,1)+i \text{Bdf}(1,1))+\frac{1}{3} \sqrt{\frac{2}{7}} (\text{Adf}(3,1)+i \text{Bdf}(3,1))-\frac{1}{33} \sqrt{\frac{5}{7}} (\text{Adf}(5,1)+i \text{Bdf}(5,1)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\frac{-\text{Adf}(1,1)+i \text{Bdf}(1,1)}{\sqrt{35}}+2 \sqrt{\frac{2}{105}} (-\text{Adf}(3,1)+i \text{Bdf}(3,1))-\frac{5 (-\text{Adf}(5,1)+i \text{Bdf}(5,1))}{11 \sqrt{21}} }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{1}{3} \sqrt{\frac{2}{7}} (-\text{Adf}(3,3)+i \text{Bdf}(3,3))-\frac{5}{33} \sqrt{2} (-\text{Adf}(5,3)+i \text{Bdf}(5,3)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\frac{5}{11} \sqrt{\frac{2}{3}} (-\text{Adf}(5,5)+i \text{Bdf}(5,5)) }$
${Y_{-1}^{(2)}}$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{-\text{Apd}(1,1)+i \text{Bpd}(1,1)}{\sqrt{5}}+\frac{2}{7} \sqrt{\frac{6}{5}} (-\text{Apd}(3,1)+i \text{Bpd}(3,1)) }$	$\color{darkred}{ 0 }$	$0$	$\text{Add}(0,0)+\frac{1}{7} \text{Add}(2,0)-\frac{4}{21} \text{Add}(4,0)$	$0$	$-\frac{1}{7} \sqrt{6} (\text{Add}(2,2)-i \text{Bdd}(2,2))-\frac{2}{21} \sqrt{10} (\text{Add}(4,2)-i \text{Bdd}(4,2))$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{2}{7}} (\text{Adf}(1,1)+i \text{Bdf}(1,1))-\frac{\text{Adf}(3,1)+i \text{Bdf}(3,1)}{\sqrt{21}}+\frac{2}{11} \sqrt{\frac{10}{21}} (\text{Adf}(5,1)+i \text{Bdf}(5,1)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{3}{35}} (-\text{Adf}(1,1)+i \text{Bdf}(1,1))+\frac{1}{3} \sqrt{\frac{2}{35}} (-\text{Adf}(3,1)+i \text{Bdf}(3,1))+\frac{20 (-\text{Adf}(5,1)+i \text{Bdf}(5,1))}{33 \sqrt{7}} }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{1}{3} \sqrt{\frac{5}{7}} (-\text{Adf}(3,3)+i \text{Bdf}(3,3))+\frac{4}{33} \sqrt{5} (-\text{Adf}(5,3)+i \text{Bdf}(5,3)) }$	$\color{darkred}{ 0 }$
${Y_{0}^{(2)}}$	$\frac{\text{Asd}(2,0)}{\sqrt{5}}$	$\color{darkred}{ \frac{\text{Apd}(1,1)+i \text{Bpd}(1,1)}{\sqrt{15}}-\frac{3}{7} \sqrt{\frac{2}{5}} (\text{Apd}(3,1)+i \text{Bpd}(3,1)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{-\text{Apd}(1,1)+i \text{Bpd}(1,1)}{\sqrt{15}}-\frac{3}{7} \sqrt{\frac{2}{5}} (-\text{Apd}(3,1)+i \text{Bpd}(3,1)) }$	$\frac{1}{7} \sqrt{\frac{5}{3}} (\text{Add}(4,2)+i \text{Bdd}(4,2))-\frac{2}{7} (\text{Add}(2,2)+i \text{Bdd}(2,2))$	$0$	$\text{Add}(0,0)+\frac{2}{7} \text{Add}(2,0)+\frac{2}{7} \text{Add}(4,0)$	$0$	$\frac{1}{7} \sqrt{\frac{5}{3}} (\text{Add}(4,2)-i \text{Bdd}(4,2))-\frac{2}{7} (\text{Add}(2,2)-i \text{Bdd}(2,2))$	$\color{darkred}{ \frac{1}{3} \sqrt{\frac{5}{7}} (\text{Adf}(3,3)+i \text{Bdf}(3,3))-\frac{2}{33} \sqrt{5} (\text{Adf}(5,3)+i \text{Bdf}(5,3)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{6}{35}} (\text{Adf}(1,1)+i \text{Bdf}(1,1))-\frac{\text{Adf}(3,1)+i \text{Bdf}(3,1)}{\sqrt{35}}-\frac{5}{11} \sqrt{\frac{2}{7}} (\text{Adf}(5,1)+i \text{Bdf}(5,1)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{6}{35}} (-\text{Adf}(1,1)+i \text{Bdf}(1,1))-\frac{-\text{Adf}(3,1)+i \text{Bdf}(3,1)}{\sqrt{35}}-\frac{5}{11} \sqrt{\frac{2}{7}} (-\text{Adf}(5,1)+i \text{Bdf}(5,1)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{1}{3} \sqrt{\frac{5}{7}} (-\text{Adf}(3,3)+i \text{Bdf}(3,3))-\frac{2}{33} \sqrt{5} (-\text{Adf}(5,3)+i \text{Bdf}(5,3)) }$
${Y_{1}^{(2)}}$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{\text{Apd}(1,1)+i \text{Bpd}(1,1)}{\sqrt{5}}+\frac{2}{7} \sqrt{\frac{6}{5}} (\text{Apd}(3,1)+i \text{Bpd}(3,1)) }$	$\color{darkred}{ 0 }$	$0$	$-\frac{1}{7} \sqrt{6} (\text{Add}(2,2)+i \text{Bdd}(2,2))-\frac{2}{21} \sqrt{10} (\text{Add}(4,2)+i \text{Bdd}(4,2))$	$0$	$\text{Add}(0,0)+\frac{1}{7} \text{Add}(2,0)-\frac{4}{21} \text{Add}(4,0)$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{1}{3} \sqrt{\frac{5}{7}} (\text{Adf}(3,3)+i \text{Bdf}(3,3))+\frac{4}{33} \sqrt{5} (\text{Adf}(5,3)+i \text{Bdf}(5,3)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{3}{35}} (\text{Adf}(1,1)+i \text{Bdf}(1,1))+\frac{1}{3} \sqrt{\frac{2}{35}} (\text{Adf}(3,1)+i \text{Bdf}(3,1))+\frac{20 (\text{Adf}(5,1)+i \text{Bdf}(5,1))}{33 \sqrt{7}} }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{2}{7}} (-\text{Adf}(1,1)+i \text{Bdf}(1,1))-\frac{-\text{Adf}(3,1)+i \text{Bdf}(3,1)}{\sqrt{21}}+\frac{2}{11} \sqrt{\frac{10}{21}} (-\text{Adf}(5,1)+i \text{Bdf}(5,1)) }$	$\color{darkred}{ 0 }$
${Y_{2}^{(2)}}$	$\frac{\text{Asd}(2,2)+i \text{Bsd}(2,2)}{\sqrt{5}}$	$\color{darkred}{ -\frac{3}{7} (\text{Apd}(3,3)+i \text{Bpd}(3,3)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{2}{5}} (\text{Apd}(1,1)+i \text{Bpd}(1,1))-\frac{1}{7} \sqrt{\frac{3}{5}} (\text{Apd}(3,1)+i \text{Bpd}(3,1)) }$	$\frac{1}{3} \sqrt{\frac{10}{7}} (\text{Add}(4,4)+i \text{Bdd}(4,4))$	$0$	$\frac{1}{7} \sqrt{\frac{5}{3}} (\text{Add}(4,2)+i \text{Bdd}(4,2))-\frac{2}{7} (\text{Add}(2,2)+i \text{Bdd}(2,2))$	$0$	$\text{Add}(0,0)-\frac{2}{7} \text{Add}(2,0)+\frac{1}{21} \text{Add}(4,0)$	$\color{darkred}{ -\frac{5}{11} \sqrt{\frac{2}{3}} (\text{Adf}(5,5)+i \text{Bdf}(5,5)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{1}{3} \sqrt{\frac{2}{7}} (\text{Adf}(3,3)+i \text{Bdf}(3,3))-\frac{5}{33} \sqrt{2} (\text{Adf}(5,3)+i \text{Bdf}(5,3)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\frac{\text{Adf}(1,1)+i \text{Bdf}(1,1)}{\sqrt{35}}+2 \sqrt{\frac{2}{105}} (\text{Adf}(3,1)+i \text{Bdf}(3,1))-\frac{5 (\text{Adf}(5,1)+i \text{Bdf}(5,1))}{11 \sqrt{21}} }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{3}{7}} (-\text{Adf}(1,1)+i \text{Bdf}(1,1))+\frac{1}{3} \sqrt{\frac{2}{7}} (-\text{Adf}(3,1)+i \text{Bdf}(3,1))-\frac{1}{33} \sqrt{\frac{5}{7}} (-\text{Adf}(5,1)+i \text{Bdf}(5,1)) }$
${Y_{-3}^{(3)}}$	$\color{darkred}{ \frac{-\text{Asf}(3,3)+i \text{Bsf}(3,3)}{\sqrt{7}} }$	$\frac{3 (\text{Apf}(2,2)-i \text{Bpf}(2,2))}{\sqrt{35}}-\frac{\text{Apf}(4,2)-i \text{Bpf}(4,2)}{3 \sqrt{21}}$	$0$	$-\frac{2 (\text{Apf}(4,4)-i \text{Bpf}(4,4))}{3 \sqrt{3}}$	$\color{darkred}{ \sqrt{\frac{3}{7}} (-\text{Adf}(1,1)+i \text{Bdf}(1,1))-\frac{1}{3} \sqrt{\frac{2}{7}} (-\text{Adf}(3,1)+i \text{Bdf}(3,1))+\frac{1}{33} \sqrt{\frac{5}{7}} (-\text{Adf}(5,1)+i \text{Bdf}(5,1)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{2}{33} \sqrt{5} (-\text{Adf}(5,3)+i \text{Bdf}(5,3))-\frac{1}{3} \sqrt{\frac{5}{7}} (-\text{Adf}(3,3)+i \text{Bdf}(3,3)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{5}{11} \sqrt{\frac{2}{3}} (-\text{Adf}(5,5)+i \text{Bdf}(5,5)) }$	$\text{Aff}(0,0)-\frac{1}{3} \text{Aff}(2,0)+\frac{1}{11} \text{Aff}(4,0)-\frac{5}{429} \text{Aff}(6,0)$	$0$	$-\frac{1}{3} \sqrt{\frac{2}{5}} (\text{Aff}(2,2)-i \text{Bff}(2,2))+\frac{1}{11} \sqrt{6} (\text{Aff}(4,2)-i \text{Bff}(4,2))-\frac{10}{429} \sqrt{7} (\text{Aff}(6,2)-i \text{Bff}(6,2))$	$0$	$\frac{1}{11} \sqrt{\frac{14}{3}} (\text{Aff}(4,4)-i \text{Bff}(4,4))-\frac{5}{143} \sqrt{\frac{70}{3}} (\text{Aff}(6,4)-i \text{Bff}(6,4))$	$0$	$-\frac{10}{13} \sqrt{\frac{7}{33}} (\text{Aff}(6,6)-i \text{Bff}(6,6))$
${Y_{-2}^{(3)}}$	$\color{darkred}{ 0 }$	$0$	$\sqrt{\frac{3}{35}} (\text{Apf}(2,2)-i \text{Bpf}(2,2))+\frac{2 (\text{Apf}(4,2)-i \text{Bpf}(4,2))}{3 \sqrt{7}}$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{2}{7}} (-\text{Adf}(1,1)+i \text{Bdf}(1,1))+\frac{-\text{Adf}(3,1)+i \text{Bdf}(3,1)}{\sqrt{21}}-\frac{2}{11} \sqrt{\frac{10}{21}} (-\text{Adf}(5,1)+i \text{Bdf}(5,1)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\frac{1}{3} \sqrt{\frac{5}{7}} (-\text{Adf}(3,3)+i \text{Bdf}(3,3))-\frac{4}{33} \sqrt{5} (-\text{Adf}(5,3)+i \text{Bdf}(5,3)) }$	$\color{darkred}{ 0 }$	$0$	$\text{Aff}(0,0)-\frac{7}{33} \text{Aff}(4,0)+\frac{10}{143} \text{Aff}(6,0)$	$0$	$-\frac{2 (\text{Aff}(2,2)-i \text{Bff}(2,2))}{3 \sqrt{5}}-\frac{\text{Aff}(4,2)-i \text{Bff}(4,2)}{11 \sqrt{3}}+\frac{20}{429} \sqrt{14} (\text{Aff}(6,2)-i \text{Bff}(6,2))$	$0$	$\frac{1}{33} \sqrt{70} (\text{Aff}(4,4)-i \text{Bff}(4,4))+\frac{10}{143} \sqrt{14} (\text{Aff}(6,4)-i \text{Bff}(6,4))$	$0$
${Y_{-1}^{(3)}}$	$\color{darkred}{ \frac{-\text{Asf}(3,1)+i \text{Bsf}(3,1)}{\sqrt{7}} }$	$\frac{3}{5} \sqrt{\frac{2}{7}} \text{Apf}(2,0)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,0)$	$0$	$\frac{1}{5} \sqrt{\frac{3}{7}} (\text{Apf}(2,2)-i \text{Bpf}(2,2))-\frac{1}{3} \sqrt{\frac{5}{7}} (\text{Apf}(4,2)-i \text{Bpf}(4,2))$	$\color{darkred}{ \frac{\text{Adf}(1,1)+i \text{Bdf}(1,1)}{\sqrt{35}}-2 \sqrt{\frac{2}{105}} (\text{Adf}(3,1)+i \text{Bdf}(3,1))+\frac{5 (\text{Adf}(5,1)+i \text{Bdf}(5,1))}{11 \sqrt{21}} }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{6}{35}} (-\text{Adf}(1,1)+i \text{Bdf}(1,1))+\frac{-\text{Adf}(3,1)+i \text{Bdf}(3,1)}{\sqrt{35}}+\frac{5}{11} \sqrt{\frac{2}{7}} (-\text{Adf}(5,1)+i \text{Bdf}(5,1)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{5}{33} \sqrt{2} (-\text{Adf}(5,3)+i \text{Bdf}(5,3))-\frac{1}{3} \sqrt{\frac{2}{7}} (-\text{Adf}(3,3)+i \text{Bdf}(3,3)) }$	$-\frac{1}{3} \sqrt{\frac{2}{5}} (\text{Aff}(2,2)+i \text{Bff}(2,2))+\frac{1}{11} \sqrt{6} (\text{Aff}(4,2)+i \text{Bff}(4,2))-\frac{10}{429} \sqrt{7} (\text{Aff}(6,2)+i \text{Bff}(6,2))$	$0$	$\text{Aff}(0,0)+\frac{1}{5} \text{Aff}(2,0)+\frac{1}{33} \text{Aff}(4,0)-\frac{25}{143} \text{Aff}(6,0)$	$0$	$-\frac{2}{5} \sqrt{\frac{2}{3}} (\text{Aff}(2,2)-i \text{Bff}(2,2))-\frac{2}{33} \sqrt{10} (\text{Aff}(4,2)-i \text{Bff}(4,2))-\frac{10}{143} \sqrt{\frac{35}{3}} (\text{Aff}(6,2)-i \text{Bff}(6,2))$	$0$	$\frac{1}{11} \sqrt{\frac{14}{3}} (\text{Aff}(4,4)-i \text{Bff}(4,4))-\frac{5}{143} \sqrt{\frac{70}{3}} (\text{Aff}(6,4)-i \text{Bff}(6,4))$
${Y_{0}^{(3)}}$	$\color{darkred}{ 0 }$	$0$	$\frac{3}{5} \sqrt{\frac{3}{7}} \text{Apf}(2,0)+\frac{4 \text{Apf}(4,0)}{3 \sqrt{21}}$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{3}{35}} (\text{Adf}(1,1)+i \text{Bdf}(1,1))-\frac{1}{3} \sqrt{\frac{2}{35}} (\text{Adf}(3,1)+i \text{Bdf}(3,1))-\frac{20 (\text{Adf}(5,1)+i \text{Bdf}(5,1))}{33 \sqrt{7}} }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{3}{35}} (-\text{Adf}(1,1)+i \text{Bdf}(1,1))-\frac{1}{3} \sqrt{\frac{2}{35}} (-\text{Adf}(3,1)+i \text{Bdf}(3,1))-\frac{20 (-\text{Adf}(5,1)+i \text{Bdf}(5,1))}{33 \sqrt{7}} }$	$\color{darkred}{ 0 }$	$0$	$-\frac{2 (\text{Aff}(2,2)+i \text{Bff}(2,2))}{3 \sqrt{5}}-\frac{\text{Aff}(4,2)+i \text{Bff}(4,2)}{11 \sqrt{3}}+\frac{20}{429} \sqrt{14} (\text{Aff}(6,2)+i \text{Bff}(6,2))$	$0$	$\text{Aff}(0,0)+\frac{4}{15} \text{Aff}(2,0)+\frac{2}{11} \text{Aff}(4,0)+\frac{100}{429} \text{Aff}(6,0)$	$0$	$-\frac{2 (\text{Aff}(2,2)-i \text{Bff}(2,2))}{3 \sqrt{5}}-\frac{\text{Aff}(4,2)-i \text{Bff}(4,2)}{11 \sqrt{3}}+\frac{20}{429} \sqrt{14} (\text{Aff}(6,2)-i \text{Bff}(6,2))$	$0$
${Y_{1}^{(3)}}$	$\color{darkred}{ \frac{\text{Asf}(3,1)+i \text{Bsf}(3,1)}{\sqrt{7}} }$	$\frac{1}{5} \sqrt{\frac{3}{7}} (\text{Apf}(2,2)+i \text{Bpf}(2,2))-\frac{1}{3} \sqrt{\frac{5}{7}} (\text{Apf}(4,2)+i \text{Bpf}(4,2))$	$0$	$\frac{3}{5} \sqrt{\frac{2}{7}} \text{Apf}(2,0)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,0)$	$\color{darkred}{ \frac{5}{33} \sqrt{2} (\text{Adf}(5,3)+i \text{Bdf}(5,3))-\frac{1}{3} \sqrt{\frac{2}{7}} (\text{Adf}(3,3)+i \text{Bdf}(3,3)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{6}{35}} (\text{Adf}(1,1)+i \text{Bdf}(1,1))+\frac{\text{Adf}(3,1)+i \text{Bdf}(3,1)}{\sqrt{35}}+\frac{5}{11} \sqrt{\frac{2}{7}} (\text{Adf}(5,1)+i \text{Bdf}(5,1)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{-\text{Adf}(1,1)+i \text{Bdf}(1,1)}{\sqrt{35}}-2 \sqrt{\frac{2}{105}} (-\text{Adf}(3,1)+i \text{Bdf}(3,1))+\frac{5 (-\text{Adf}(5,1)+i \text{Bdf}(5,1))}{11 \sqrt{21}} }$	$\frac{1}{11} \sqrt{\frac{14}{3}} (\text{Aff}(4,4)+i \text{Bff}(4,4))-\frac{5}{143} \sqrt{\frac{70}{3}} (\text{Aff}(6,4)+i \text{Bff}(6,4))$	$0$	$-\frac{2}{5} \sqrt{\frac{2}{3}} (\text{Aff}(2,2)+i \text{Bff}(2,2))-\frac{2}{33} \sqrt{10} (\text{Aff}(4,2)+i \text{Bff}(4,2))-\frac{10}{143} \sqrt{\frac{35}{3}} (\text{Aff}(6,2)+i \text{Bff}(6,2))$	$0$	$\text{Aff}(0,0)+\frac{1}{5} \text{Aff}(2,0)+\frac{1}{33} \text{Aff}(4,0)-\frac{25}{143} \text{Aff}(6,0)$	$0$	$-\frac{1}{3} \sqrt{\frac{2}{5}} (\text{Aff}(2,2)-i \text{Bff}(2,2))+\frac{1}{11} \sqrt{6} (\text{Aff}(4,2)-i \text{Bff}(4,2))-\frac{10}{429} \sqrt{7} (\text{Aff}(6,2)-i \text{Bff}(6,2))$
${Y_{2}^{(3)}}$	$\color{darkred}{ 0 }$	$0$	$\sqrt{\frac{3}{35}} (\text{Apf}(2,2)+i \text{Bpf}(2,2))+\frac{2 (\text{Apf}(4,2)+i \text{Bpf}(4,2))}{3 \sqrt{7}}$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\frac{1}{3} \sqrt{\frac{5}{7}} (\text{Adf}(3,3)+i \text{Bdf}(3,3))-\frac{4}{33} \sqrt{5} (\text{Adf}(5,3)+i \text{Bdf}(5,3)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{2}{7}} (\text{Adf}(1,1)+i \text{Bdf}(1,1))+\frac{\text{Adf}(3,1)+i \text{Bdf}(3,1)}{\sqrt{21}}-\frac{2}{11} \sqrt{\frac{10}{21}} (\text{Adf}(5,1)+i \text{Bdf}(5,1)) }$	$\color{darkred}{ 0 }$	$0$	$\frac{1}{33} \sqrt{70} (\text{Aff}(4,4)+i \text{Bff}(4,4))+\frac{10}{143} \sqrt{14} (\text{Aff}(6,4)+i \text{Bff}(6,4))$	$0$	$-\frac{2 (\text{Aff}(2,2)+i \text{Bff}(2,2))}{3 \sqrt{5}}-\frac{\text{Aff}(4,2)+i \text{Bff}(4,2)}{11 \sqrt{3}}+\frac{20}{429} \sqrt{14} (\text{Aff}(6,2)+i \text{Bff}(6,2))$	$0$	$\text{Aff}(0,0)-\frac{7}{33} \text{Aff}(4,0)+\frac{10}{143} \text{Aff}(6,0)$	$0$
${Y_{3}^{(3)}}$	$\color{darkred}{ \frac{\text{Asf}(3,3)+i \text{Bsf}(3,3)}{\sqrt{7}} }$	$-\frac{2 (\text{Apf}(4,4)+i \text{Bpf}(4,4))}{3 \sqrt{3}}$	$0$	$\frac{3 (\text{Apf}(2,2)+i \text{Bpf}(2,2))}{\sqrt{35}}-\frac{\text{Apf}(4,2)+i \text{Bpf}(4,2)}{3 \sqrt{21}}$	$\color{darkred}{ \frac{5}{11} \sqrt{\frac{2}{3}} (\text{Adf}(5,5)+i \text{Bdf}(5,5)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{2}{33} \sqrt{5} (\text{Adf}(5,3)+i \text{Bdf}(5,3))-\frac{1}{3} \sqrt{\frac{5}{7}} (\text{Adf}(3,3)+i \text{Bdf}(3,3)) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{3}{7}} (\text{Adf}(1,1)+i \text{Bdf}(1,1))-\frac{1}{3} \sqrt{\frac{2}{7}} (\text{Adf}(3,1)+i \text{Bdf}(3,1))+\frac{1}{33} \sqrt{\frac{5}{7}} (\text{Adf}(5,1)+i \text{Bdf}(5,1)) }$	$-\frac{10}{13} \sqrt{\frac{7}{33}} (\text{Aff}(6,6)+i \text{Bff}(6,6))$	$0$	$\frac{1}{11} \sqrt{\frac{14}{3}} (\text{Aff}(4,4)+i \text{Bff}(4,4))-\frac{5}{143} \sqrt{\frac{70}{3}} (\text{Aff}(6,4)+i \text{Bff}(6,4))$	$0$	$-\frac{1}{3} \sqrt{\frac{2}{5}} (\text{Aff}(2,2)+i \text{Bff}(2,2))+\frac{1}{11} \sqrt{6} (\text{Aff}(4,2)+i \text{Bff}(4,2))-\frac{10}{429} \sqrt{7} (\text{Aff}(6,2)+i \text{Bff}(6,2))$	$0$	$\text{Aff}(0,0)-\frac{1}{3} \text{Aff}(2,0)+\frac{1}{11} \text{Aff}(4,0)-\frac{5}{429} \text{Aff}(6,0)$

Rotation matrix to symmetry adapted functions (choice is not unique)

Instead of a basis of spherical harmonics one can chose any other basis, which is given by a unitary transformation. Here we choose a rotation that simplifies the representation of the crystal field

	${Y_{0}^{(0)}}$	${Y_{-1}^{(1)}}$	${Y_{0}^{(1)}}$	${Y_{1}^{(1)}}$	${Y_{-2}^{(2)}}$	${Y_{-1}^{(2)}}$	${Y_{0}^{(2)}}$	${Y_{1}^{(2)}}$	${Y_{2}^{(2)}}$	${Y_{-3}^{(3)}}$	${Y_{-2}^{(3)}}$	${Y_{-1}^{(3)}}$	${Y_{0}^{(3)}}$	${Y_{1}^{(3)}}$	${Y_{2}^{(3)}}$	${Y_{3}^{(3)}}$
$\text{s}$	$1$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$0$	$0$	$0$	$0$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$
$p_x$	$\color{darkred}{ 0 }$	$\frac{1}{\sqrt{2}}$	$0$	$-\frac{1}{\sqrt{2}}$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$0$	$0$	$0$	$0$	$0$	$0$	$0$
$p_y$	$\color{darkred}{ 0 }$	$\frac{i}{\sqrt{2}}$	$0$	$\frac{i}{\sqrt{2}}$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$0$	$0$	$0$	$0$	$0$	$0$	$0$
$p_z$	$\color{darkred}{ 0 }$	$0$	$1$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$0$	$0$	$0$	$0$	$0$	$0$	$0$
$d_{x^2-y^2}$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\frac{1}{\sqrt{2}}$	$0$	$0$	$0$	$\frac{1}{\sqrt{2}}$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$
$d_{3z^2-r^2}$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$0$	$0$	$1$	$0$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$
$d_{\text{yz}}$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$0$	$\frac{i}{\sqrt{2}}$	$0$	$\frac{i}{\sqrt{2}}$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$
$d_{\text{xz}}$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$0$	$\frac{1}{\sqrt{2}}$	$0$	$-\frac{1}{\sqrt{2}}$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$
$d_{\text{xy}}$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\frac{i}{\sqrt{2}}$	$0$	$0$	$0$	$-\frac{i}{\sqrt{2}}$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$
$f_{\text{xyz}}$	$\color{darkred}{ 0 }$	$0$	$0$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$0$	$\frac{i}{\sqrt{2}}$	$0$	$0$	$0$	$-\frac{i}{\sqrt{2}}$	$0$
$f_{x\left(5x^2-r^2\right)}$	$\color{darkred}{ 0 }$	$0$	$0$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\frac{\sqrt{5}}{4}$	$0$	$-\frac{\sqrt{3}}{4}$	$0$	$\frac{\sqrt{3}}{4}$	$0$	$-\frac{\sqrt{5}}{4}$
$f_{y\left(5y^2-r^2\right)}$	$\color{darkred}{ 0 }$	$0$	$0$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$-\frac{i \sqrt{5}}{4}$	$0$	$-\frac{i \sqrt{3}}{4}$	$0$	$-\frac{i \sqrt{3}}{4}$	$0$	$-\frac{i \sqrt{5}}{4}$
$f_{x\left(5z^2-r^2\right)}$	$\color{darkred}{ 0 }$	$0$	$0$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$0$	$0$	$0$	$1$	$0$	$0$	$0$
$f_{x\left(y^2-z^2\right)}$	$\color{darkred}{ 0 }$	$0$	$0$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$-\frac{\sqrt{3}}{4}$	$0$	$-\frac{\sqrt{5}}{4}$	$0$	$\frac{\sqrt{5}}{4}$	$0$	$\frac{\sqrt{3}}{4}$
$f_{y\left(z^2-x^2\right)}$	$\color{darkred}{ 0 }$	$0$	$0$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$-\frac{i \sqrt{3}}{4}$	$0$	$\frac{i \sqrt{5}}{4}$	$0$	$\frac{i \sqrt{5}}{4}$	$0$	$-\frac{i \sqrt{3}}{4}$
$f_{z\left(x^2-y^2\right)}$	$\color{darkred}{ 0 }$	$0$	$0$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$0$	$\frac{1}{\sqrt{2}}$	$0$	$0$	$0$	$\frac{1}{\sqrt{2}}$	$0$

One particle coupling on a basis of symmetry adapted functions

After rotation we find

	$\text{s}$	$p_x$	$p_y$	$p_z$	$d_{x^2-y^2}$	$d_{3z^2-r^2}$	$d_{\text{yz}}$	$d_{\text{xz}}$	$d_{\text{xy}}$	$f_{\text{xyz}}$	$f_{x\left(5x^2-r^2\right)}$	$f_{y\left(5y^2-r^2\right)}$	$f_{x\left(5z^2-r^2\right)}$	$f_{x\left(y^2-z^2\right)}$	$f_{y\left(z^2-x^2\right)}$	$f_{z\left(x^2-y^2\right)}$
$\text{s}$	$\text{Ass}(0,0)$	$\color{darkred}{ -\sqrt{\frac{2}{3}} \text{Asp}(1,1) }$	$\color{darkred}{ \sqrt{\frac{2}{3}} \text{Bsp}(1,1) }$	$\color{darkred}{ 0 }$	$\sqrt{\frac{2}{5}} \text{Asd}(2,2)$	$\frac{\text{Asd}(2,0)}{\sqrt{5}}$	$0$	$0$	$-\sqrt{\frac{2}{5}} \text{Bsd}(2,2)$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{1}{2} \sqrt{\frac{3}{7}} \text{Asf}(3,1)-\frac{1}{2} \sqrt{\frac{5}{7}} \text{Asf}(3,3) }$	$\color{darkred}{ -\frac{1}{2} \sqrt{\frac{3}{7}} \text{Bsf}(3,1)-\frac{1}{2} \sqrt{\frac{5}{7}} \text{Bsf}(3,3) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{1}{2} \sqrt{\frac{5}{7}} \text{Asf}(3,1)+\frac{1}{2} \sqrt{\frac{3}{7}} \text{Asf}(3,3) }$	$\color{darkred}{ \frac{1}{2} \sqrt{\frac{5}{7}} \text{Bsf}(3,1)-\frac{1}{2} \sqrt{\frac{3}{7}} \text{Bsf}(3,3) }$	$\color{darkred}{ 0 }$
$p_x$	$\color{darkred}{ -\sqrt{\frac{2}{3}} \text{Asp}(1,1) }$	$\text{App}(0,0)-\frac{1}{5} \text{App}(2,0)+\frac{1}{5} \sqrt{6} \text{App}(2,2)$	$-\frac{1}{5} \sqrt{6} \text{Bpp}(2,2)$	$0$	$\color{darkred}{ -\sqrt{\frac{2}{5}} \text{Apd}(1,1)+\frac{1}{7} \sqrt{\frac{3}{5}} \text{Apd}(3,1)-\frac{3}{7} \text{Apd}(3,3) }$	$\color{darkred}{ \sqrt{\frac{2}{15}} \text{Apd}(1,1)-\frac{6 \text{Apd}(3,1)}{7 \sqrt{5}} }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{2}{5}} \text{Bpd}(1,1)-\frac{1}{7} \sqrt{\frac{3}{5}} \text{Bpd}(3,1)+\frac{3}{7} \text{Bpd}(3,3) }$	$0$	$-\frac{3}{10} \sqrt{\frac{3}{7}} \text{Apf}(2,0)+\frac{9 \text{Apf}(2,2)}{5 \sqrt{14}}+\frac{\text{Apf}(4,0)}{2 \sqrt{21}}-\frac{1}{3} \sqrt{\frac{10}{21}} \text{Apf}(4,2)+\frac{1}{3} \sqrt{\frac{5}{6}} \text{Apf}(4,4)$	$\frac{3}{5} \sqrt{\frac{2}{7}} \text{Bpf}(2,2)+\frac{1}{3} \sqrt{\frac{5}{42}} \text{Bpf}(4,2)+\frac{1}{3} \sqrt{\frac{5}{6}} \text{Bpf}(4,4)$	$0$	$-\frac{3 \text{Apf}(2,0)}{2 \sqrt{35}}-\sqrt{\frac{3}{70}} \text{Apf}(2,2)+\frac{1}{6} \sqrt{\frac{5}{7}} \text{Apf}(4,0)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,2)-\frac{\text{Apf}(4,4)}{3 \sqrt{2}}$	$\sqrt{\frac{6}{35}} \text{Bpf}(2,2)-\frac{\text{Bpf}(4,2)}{\sqrt{14}}+\frac{\text{Bpf}(4,4)}{3 \sqrt{2}}$	$0$
$p_y$	$\color{darkred}{ \sqrt{\frac{2}{3}} \text{Bsp}(1,1) }$	$-\frac{1}{5} \sqrt{6} \text{Bpp}(2,2)$	$\text{App}(0,0)-\frac{1}{5} \text{App}(2,0)-\frac{1}{5} \sqrt{6} \text{App}(2,2)$	$0$	$\color{darkred}{ -\sqrt{\frac{2}{5}} \text{Bpd}(1,1)+\frac{1}{7} \sqrt{\frac{3}{5}} \text{Bpd}(3,1)+\frac{3}{7} \text{Bpd}(3,3) }$	$\color{darkred}{ \frac{6 \text{Bpd}(3,1)}{7 \sqrt{5}}-\sqrt{\frac{2}{15}} \text{Bpd}(1,1) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{2}{5}} \text{Apd}(1,1)+\frac{1}{7} \sqrt{\frac{3}{5}} \text{Apd}(3,1)+\frac{3}{7} \text{Apd}(3,3) }$	$0$	$\frac{3}{5} \sqrt{\frac{2}{7}} \text{Bpf}(2,2)+\frac{1}{3} \sqrt{\frac{5}{42}} \text{Bpf}(4,2)-\frac{1}{3} \sqrt{\frac{5}{6}} \text{Bpf}(4,4)$	$-\frac{3}{10} \sqrt{\frac{3}{7}} \text{Apf}(2,0)-\frac{9 \text{Apf}(2,2)}{5 \sqrt{14}}+\frac{\text{Apf}(4,0)}{2 \sqrt{21}}+\frac{1}{3} \sqrt{\frac{10}{21}} \text{Apf}(4,2)+\frac{1}{3} \sqrt{\frac{5}{6}} \text{Apf}(4,4)$	$0$	$-\sqrt{\frac{6}{35}} \text{Bpf}(2,2)+\frac{\text{Bpf}(4,2)}{\sqrt{14}}+\frac{\text{Bpf}(4,4)}{3 \sqrt{2}}$	$\frac{3 \text{Apf}(2,0)}{2 \sqrt{35}}-\sqrt{\frac{3}{70}} \text{Apf}(2,2)-\frac{1}{6} \sqrt{\frac{5}{7}} \text{Apf}(4,0)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,2)+\frac{\text{Apf}(4,4)}{3 \sqrt{2}}$	$0$
$p_z$	$\color{darkred}{ 0 }$	$0$	$0$	$\text{App}(0,0)+\frac{2}{5} \text{App}(2,0)$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{2}{5}} \text{Bpd}(1,1)+\frac{4}{7} \sqrt{\frac{3}{5}} \text{Bpd}(3,1) }$	$\color{darkred}{ -\sqrt{\frac{2}{5}} \text{Apd}(1,1)-\frac{4}{7} \sqrt{\frac{3}{5}} \text{Apd}(3,1) }$	$\color{darkred}{ 0 }$	$-\sqrt{\frac{6}{35}} \text{Bpf}(2,2)-\frac{2}{3} \sqrt{\frac{2}{7}} \text{Bpf}(4,2)$	$0$	$0$	$\frac{3}{5} \sqrt{\frac{3}{7}} \text{Apf}(2,0)+\frac{4 \text{Apf}(4,0)}{3 \sqrt{21}}$	$0$	$0$	$\sqrt{\frac{6}{35}} \text{Apf}(2,2)+\frac{2}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,2)$
$d_{x^2-y^2}$	$\sqrt{\frac{2}{5}} \text{Asd}(2,2)$	$\color{darkred}{ -\sqrt{\frac{2}{5}} \text{Apd}(1,1)+\frac{1}{7} \sqrt{\frac{3}{5}} \text{Apd}(3,1)-\frac{3}{7} \text{Apd}(3,3) }$	$\color{darkred}{ -\sqrt{\frac{2}{5}} \text{Bpd}(1,1)+\frac{1}{7} \sqrt{\frac{3}{5}} \text{Bpd}(3,1)+\frac{3}{7} \text{Bpd}(3,3) }$	$\color{darkred}{ 0 }$	$\text{Add}(0,0)-\frac{2}{7} \text{Add}(2,0)+\frac{1}{21} \text{Add}(4,0)+\frac{1}{3} \sqrt{\frac{10}{7}} \text{Add}(4,4)$	$\frac{1}{7} \sqrt{\frac{10}{3}} \text{Add}(4,2)-\frac{2}{7} \sqrt{2} \text{Add}(2,2)$	$0$	$0$	$-\frac{1}{3} \sqrt{\frac{10}{7}} \text{Bdd}(4,4)$	$\color{darkred}{ 0 }$	$\color{darkred}{ -3 \sqrt{\frac{3}{70}} \text{Adf}(1,1)+\frac{11 \text{Adf}(3,1)}{6 \sqrt{35}}-\frac{\text{Adf}(3,3)}{2 \sqrt{21}}-\frac{5}{33} \sqrt{\frac{2}{7}} \text{Adf}(5,1)+\frac{5 \text{Adf}(5,3)}{22 \sqrt{3}}-\frac{5}{22} \sqrt{\frac{5}{3}} \text{Adf}(5,5) }$	$\color{darkred}{ -3 \sqrt{\frac{3}{70}} \text{Bdf}(1,1)+\frac{11 \text{Bdf}(3,1)}{6 \sqrt{35}}+\frac{\text{Bdf}(3,3)}{2 \sqrt{21}}-\frac{5}{33} \sqrt{\frac{2}{7}} \text{Bdf}(5,1)-\frac{5 \text{Bdf}(5,3)}{22 \sqrt{3}}-\frac{5}{22} \sqrt{\frac{5}{3}} \text{Bdf}(5,5) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{\text{Adf}(1,1)}{\sqrt{14}}+\frac{\text{Adf}(3,1)}{2 \sqrt{21}}-\frac{1}{6} \sqrt{\frac{5}{7}} \text{Adf}(3,3)-\frac{1}{11} \sqrt{\frac{10}{21}} \text{Adf}(5,1)+\frac{5}{66} \sqrt{5} \text{Adf}(5,3)+\frac{5}{22} \text{Adf}(5,5) }$	$\color{darkred}{ -\frac{\text{Bdf}(1,1)}{\sqrt{14}}-\frac{\text{Bdf}(3,1)}{2 \sqrt{21}}-\frac{1}{6} \sqrt{\frac{5}{7}} \text{Bdf}(3,3)+\frac{1}{11} \sqrt{\frac{10}{21}} \text{Bdf}(5,1)+\frac{5}{66} \sqrt{5} \text{Bdf}(5,3)-\frac{5}{22} \text{Bdf}(5,5) }$	$\color{darkred}{ 0 }$
$d_{3z^2-r^2}$	$\frac{\text{Asd}(2,0)}{\sqrt{5}}$	$\color{darkred}{ \sqrt{\frac{2}{15}} \text{Apd}(1,1)-\frac{6 \text{Apd}(3,1)}{7 \sqrt{5}} }$	$\color{darkred}{ \frac{6 \text{Bpd}(3,1)}{7 \sqrt{5}}-\sqrt{\frac{2}{15}} \text{Bpd}(1,1) }$	$\color{darkred}{ 0 }$	$\frac{1}{7} \sqrt{\frac{10}{3}} \text{Add}(4,2)-\frac{2}{7} \sqrt{2} \text{Add}(2,2)$	$\text{Add}(0,0)+\frac{2}{7} \text{Add}(2,0)+\frac{2}{7} \text{Add}(4,0)$	$0$	$0$	$\frac{2}{7} \sqrt{2} \text{Bdd}(2,2)-\frac{1}{7} \sqrt{\frac{10}{3}} \text{Bdd}(4,2)$	$\color{darkred}{ 0 }$	$\color{darkred}{ \frac{3 \text{Adf}(1,1)}{\sqrt{70}}+\frac{1}{2} \sqrt{\frac{3}{35}} \text{Adf}(3,1)+\frac{5 \text{Adf}(3,3)}{6 \sqrt{7}}+\frac{5}{11} \sqrt{\frac{3}{14}} \text{Adf}(5,1)-\frac{5}{33} \text{Adf}(5,3) }$	$\color{darkred}{ -\frac{3 \text{Bdf}(1,1)}{\sqrt{70}}-\frac{1}{2} \sqrt{\frac{3}{35}} \text{Bdf}(3,1)+\frac{5 \text{Bdf}(3,3)}{6 \sqrt{7}}-\frac{5}{11} \sqrt{\frac{3}{14}} \text{Bdf}(5,1)-\frac{5}{33} \text{Bdf}(5,3) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{3}{14}} \text{Adf}(1,1)+\frac{\text{Adf}(3,1)}{2 \sqrt{7}}-\frac{1}{2} \sqrt{\frac{5}{21}} \text{Adf}(3,3)+\frac{5}{11} \sqrt{\frac{5}{14}} \text{Adf}(5,1)+\frac{1}{11} \sqrt{\frac{5}{3}} \text{Adf}(5,3) }$	$\color{darkred}{ \sqrt{\frac{3}{14}} \text{Bdf}(1,1)+\frac{\text{Bdf}(3,1)}{2 \sqrt{7}}+\frac{1}{2} \sqrt{\frac{5}{21}} \text{Bdf}(3,3)+\frac{5}{11} \sqrt{\frac{5}{14}} \text{Bdf}(5,1)-\frac{1}{11} \sqrt{\frac{5}{3}} \text{Bdf}(5,3) }$	$\color{darkred}{ 0 }$
$d_{\text{yz}}$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{2}{5}} \text{Bpd}(1,1)+\frac{4}{7} \sqrt{\frac{3}{5}} \text{Bpd}(3,1) }$	$0$	$0$	$\text{Add}(0,0)+\frac{1}{7} \text{Add}(2,0)-\frac{1}{7} \sqrt{6} \text{Add}(2,2)-\frac{4}{21} \text{Add}(4,0)-\frac{2}{21} \sqrt{10} \text{Add}(4,2)$	$-\frac{1}{7} \sqrt{6} \text{Bdd}(2,2)-\frac{2}{21} \sqrt{10} \text{Bdd}(4,2)$	$0$	$\color{darkred}{ -\sqrt{\frac{2}{7}} \text{Adf}(1,1)-\frac{\text{Adf}(3,1)}{\sqrt{21}}+\frac{1}{3} \sqrt{\frac{5}{7}} \text{Adf}(3,3)+\frac{2}{11} \sqrt{\frac{10}{21}} \text{Adf}(5,1)+\frac{4}{33} \sqrt{5} \text{Adf}(5,3) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{6}{35}} \text{Bdf}(1,1)+\frac{2 \text{Bdf}(3,1)}{3 \sqrt{35}}+\frac{20}{33} \sqrt{\frac{2}{7}} \text{Bdf}(5,1) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{2}{7}} \text{Bdf}(1,1)-\frac{\text{Bdf}(3,1)}{\sqrt{21}}+\frac{1}{3} \sqrt{\frac{5}{7}} \text{Bdf}(3,3)+\frac{2}{11} \sqrt{\frac{10}{21}} \text{Bdf}(5,1)+\frac{4}{33} \sqrt{5} \text{Bdf}(5,3) }$
$d_{\text{xz}}$	$0$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{2}{5}} \text{Apd}(1,1)-\frac{4}{7} \sqrt{\frac{3}{5}} \text{Apd}(3,1) }$	$0$	$0$	$-\frac{1}{7} \sqrt{6} \text{Bdd}(2,2)-\frac{2}{21} \sqrt{10} \text{Bdd}(4,2)$	$\text{Add}(0,0)+\frac{1}{7} \text{Add}(2,0)+\frac{1}{7} \sqrt{6} \text{Add}(2,2)-\frac{4}{21} \text{Add}(4,0)+\frac{2}{21} \sqrt{10} \text{Add}(4,2)$	$0$	$\color{darkred}{ \sqrt{\frac{2}{7}} \text{Bdf}(1,1)+\frac{\text{Bdf}(3,1)}{\sqrt{21}}+\frac{1}{3} \sqrt{\frac{5}{7}} \text{Bdf}(3,3)-\frac{2}{11} \sqrt{\frac{10}{21}} \text{Bdf}(5,1)+\frac{4}{33} \sqrt{5} \text{Bdf}(5,3) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{6}{35}} \text{Adf}(1,1)-\frac{2 \text{Adf}(3,1)}{3 \sqrt{35}}-\frac{20}{33} \sqrt{\frac{2}{7}} \text{Adf}(5,1) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{2}{7}} \text{Adf}(1,1)-\frac{\text{Adf}(3,1)}{\sqrt{21}}-\frac{1}{3} \sqrt{\frac{5}{7}} \text{Adf}(3,3)+\frac{2}{11} \sqrt{\frac{10}{21}} \text{Adf}(5,1)-\frac{4}{33} \sqrt{5} \text{Adf}(5,3) }$
$d_{\text{xy}}$	$-\sqrt{\frac{2}{5}} \text{Bsd}(2,2)$	$\color{darkred}{ \sqrt{\frac{2}{5}} \text{Bpd}(1,1)-\frac{1}{7} \sqrt{\frac{3}{5}} \text{Bpd}(3,1)+\frac{3}{7} \text{Bpd}(3,3) }$	$\color{darkred}{ -\sqrt{\frac{2}{5}} \text{Apd}(1,1)+\frac{1}{7} \sqrt{\frac{3}{5}} \text{Apd}(3,1)+\frac{3}{7} \text{Apd}(3,3) }$	$\color{darkred}{ 0 }$	$-\frac{1}{3} \sqrt{\frac{10}{7}} \text{Bdd}(4,4)$	$\frac{2}{7} \sqrt{2} \text{Bdd}(2,2)-\frac{1}{7} \sqrt{\frac{10}{3}} \text{Bdd}(4,2)$	$0$	$0$	$\text{Add}(0,0)-\frac{2}{7} \text{Add}(2,0)+\frac{1}{21} \text{Add}(4,0)-\frac{1}{3} \sqrt{\frac{10}{7}} \text{Add}(4,4)$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{6}{35}} \text{Bdf}(1,1)-\frac{\text{Bdf}(3,1)}{6 \sqrt{35}}+\frac{\text{Bdf}(3,3)}{2 \sqrt{21}}+\frac{5 \text{Bdf}(5,1)}{33 \sqrt{14}}-\frac{5 \text{Bdf}(5,3)}{22 \sqrt{3}}+\frac{5}{22} \sqrt{\frac{5}{3}} \text{Bdf}(5,5) }$	$\color{darkred}{ \sqrt{\frac{6}{35}} \text{Adf}(1,1)+\frac{\text{Adf}(3,1)}{6 \sqrt{35}}+\frac{\text{Adf}(3,3)}{2 \sqrt{21}}-\frac{5 \text{Adf}(5,1)}{33 \sqrt{14}}-\frac{5 \text{Adf}(5,3)}{22 \sqrt{3}}-\frac{5}{22} \sqrt{\frac{5}{3}} \text{Adf}(5,5) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{2}{7}} \text{Bdf}(1,1)-\frac{1}{2} \sqrt{\frac{3}{7}} \text{Bdf}(3,1)+\frac{1}{6} \sqrt{\frac{5}{7}} \text{Bdf}(3,3)+\frac{1}{11} \sqrt{\frac{15}{14}} \text{Bdf}(5,1)-\frac{5}{66} \sqrt{5} \text{Bdf}(5,3)-\frac{5}{22} \text{Bdf}(5,5) }$	$\color{darkred}{ \sqrt{\frac{2}{7}} \text{Adf}(1,1)-\frac{1}{2} \sqrt{\frac{3}{7}} \text{Adf}(3,1)-\frac{1}{6} \sqrt{\frac{5}{7}} \text{Adf}(3,3)+\frac{1}{11} \sqrt{\frac{15}{14}} \text{Adf}(5,1)+\frac{5}{66} \sqrt{5} \text{Adf}(5,3)-\frac{5}{22} \text{Adf}(5,5) }$	$\color{darkred}{ 0 }$
$f_{\text{xyz}}$	$\color{darkred}{ 0 }$	$0$	$0$	$-\sqrt{\frac{6}{35}} \text{Bpf}(2,2)-\frac{2}{3} \sqrt{\frac{2}{7}} \text{Bpf}(4,2)$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{2}{7}} \text{Adf}(1,1)-\frac{\text{Adf}(3,1)}{\sqrt{21}}+\frac{1}{3} \sqrt{\frac{5}{7}} \text{Adf}(3,3)+\frac{2}{11} \sqrt{\frac{10}{21}} \text{Adf}(5,1)+\frac{4}{33} \sqrt{5} \text{Adf}(5,3) }$	$\color{darkred}{ \sqrt{\frac{2}{7}} \text{Bdf}(1,1)+\frac{\text{Bdf}(3,1)}{\sqrt{21}}+\frac{1}{3} \sqrt{\frac{5}{7}} \text{Bdf}(3,3)-\frac{2}{11} \sqrt{\frac{10}{21}} \text{Bdf}(5,1)+\frac{4}{33} \sqrt{5} \text{Bdf}(5,3) }$	$\color{darkred}{ 0 }$	$\text{Aff}(0,0)-\frac{7}{33} \text{Aff}(4,0)-\frac{1}{33} \sqrt{70} \text{Aff}(4,4)+\frac{10}{143} \text{Aff}(6,0)-\frac{10}{143} \sqrt{14} \text{Aff}(6,4)$	$0$	$0$	$\frac{2}{3} \sqrt{\frac{2}{5}} \text{Bff}(2,2)+\frac{1}{11} \sqrt{\frac{2}{3}} \text{Bff}(4,2)-\frac{40}{429} \sqrt{7} \text{Bff}(6,2)$	$0$	$0$	$-\frac{1}{33} \sqrt{70} \text{Bff}(4,4)-\frac{10}{143} \sqrt{14} \text{Bff}(6,4)$
$f_{x\left(5x^2-r^2\right)}$	$\color{darkred}{ \frac{1}{2} \sqrt{\frac{3}{7}} \text{Asf}(3,1)-\frac{1}{2} \sqrt{\frac{5}{7}} \text{Asf}(3,3) }$	$-\frac{3}{10} \sqrt{\frac{3}{7}} \text{Apf}(2,0)+\frac{9 \text{Apf}(2,2)}{5 \sqrt{14}}+\frac{\text{Apf}(4,0)}{2 \sqrt{21}}-\frac{1}{3} \sqrt{\frac{10}{21}} \text{Apf}(4,2)+\frac{1}{3} \sqrt{\frac{5}{6}} \text{Apf}(4,4)$	$\frac{3}{5} \sqrt{\frac{2}{7}} \text{Bpf}(2,2)+\frac{1}{3} \sqrt{\frac{5}{42}} \text{Bpf}(4,2)-\frac{1}{3} \sqrt{\frac{5}{6}} \text{Bpf}(4,4)$	$0$	$\color{darkred}{ -3 \sqrt{\frac{3}{70}} \text{Adf}(1,1)+\frac{11 \text{Adf}(3,1)}{6 \sqrt{35}}-\frac{\text{Adf}(3,3)}{2 \sqrt{21}}-\frac{5}{33} \sqrt{\frac{2}{7}} \text{Adf}(5,1)+\frac{5 \text{Adf}(5,3)}{22 \sqrt{3}}-\frac{5}{22} \sqrt{\frac{5}{3}} \text{Adf}(5,5) }$	$\color{darkred}{ \frac{3 \text{Adf}(1,1)}{\sqrt{70}}+\frac{1}{2} \sqrt{\frac{3}{35}} \text{Adf}(3,1)+\frac{5 \text{Adf}(3,3)}{6 \sqrt{7}}+\frac{5}{11} \sqrt{\frac{3}{14}} \text{Adf}(5,1)-\frac{5}{33} \text{Adf}(5,3) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{6}{35}} \text{Bdf}(1,1)-\frac{\text{Bdf}(3,1)}{6 \sqrt{35}}+\frac{\text{Bdf}(3,3)}{2 \sqrt{21}}+\frac{5 \text{Bdf}(5,1)}{33 \sqrt{14}}-\frac{5 \text{Bdf}(5,3)}{22 \sqrt{3}}+\frac{5}{22} \sqrt{\frac{5}{3}} \text{Bdf}(5,5) }$	$0$	$\text{Aff}(0,0)-\frac{2}{15} \text{Aff}(2,0)+\frac{2}{5} \sqrt{\frac{2}{3}} \text{Aff}(2,2)+\frac{3}{44} \text{Aff}(4,0)-\frac{1}{11} \sqrt{\frac{5}{2}} \text{Aff}(4,2)+\frac{1}{22} \sqrt{\frac{35}{2}} \text{Aff}(4,4)-\frac{125 \text{Aff}(6,0)}{1716}+\frac{25}{572} \sqrt{\frac{35}{3}} \text{Aff}(6,2)-\frac{25}{286} \sqrt{\frac{7}{2}} \text{Aff}(6,4)+\frac{25}{52} \sqrt{\frac{7}{33}} \text{Aff}(6,6)$	$\frac{\text{Bff}(2,2)}{5 \sqrt{6}}-\frac{1}{11} \sqrt{10} \text{Bff}(4,2)-\frac{5}{572} \sqrt{\frac{35}{3}} \text{Bff}(6,2)+\frac{25}{52} \sqrt{\frac{7}{33}} \text{Bff}(6,6)$	$0$	$\frac{\text{Aff}(2,0)}{\sqrt{15}}+\frac{1}{3} \sqrt{\frac{2}{5}} \text{Aff}(2,2)-\frac{1}{44} \sqrt{\frac{5}{3}} \text{Aff}(4,0)+\frac{\text{Aff}(4,2)}{11 \sqrt{6}}+\frac{1}{22} \sqrt{\frac{7}{6}} \text{Aff}(4,4)-\frac{35}{572} \sqrt{\frac{5}{3}} \text{Aff}(6,0)+\frac{85 \sqrt{7} \text{Aff}(6,2)}{1716}-\frac{5}{286} \sqrt{\frac{35}{6}} \text{Aff}(6,4)-\frac{5}{52} \sqrt{\frac{35}{11}} \text{Aff}(6,6)$	$\frac{\text{Bff}(2,2)}{3 \sqrt{10}}+\frac{2}{11} \sqrt{\frac{2}{3}} \text{Bff}(4,2)+\frac{1}{11} \sqrt{\frac{14}{3}} \text{Bff}(4,4)+\frac{5}{132} \sqrt{7} \text{Bff}(6,2)-\frac{5}{143} \sqrt{\frac{70}{3}} \text{Bff}(6,4)+\frac{5}{52} \sqrt{\frac{35}{11}} \text{Bff}(6,6)$	$0$
$f_{y\left(5y^2-r^2\right)}$	$\color{darkred}{ -\frac{1}{2} \sqrt{\frac{3}{7}} \text{Bsf}(3,1)-\frac{1}{2} \sqrt{\frac{5}{7}} \text{Bsf}(3,3) }$	$\frac{3}{5} \sqrt{\frac{2}{7}} \text{Bpf}(2,2)+\frac{1}{3} \sqrt{\frac{5}{42}} \text{Bpf}(4,2)+\frac{1}{3} \sqrt{\frac{5}{6}} \text{Bpf}(4,4)$	$-\frac{3}{10} \sqrt{\frac{3}{7}} \text{Apf}(2,0)-\frac{9 \text{Apf}(2,2)}{5 \sqrt{14}}+\frac{\text{Apf}(4,0)}{2 \sqrt{21}}+\frac{1}{3} \sqrt{\frac{10}{21}} \text{Apf}(4,2)+\frac{1}{3} \sqrt{\frac{5}{6}} \text{Apf}(4,4)$	$0$	$\color{darkred}{ -3 \sqrt{\frac{3}{70}} \text{Bdf}(1,1)+\frac{11 \text{Bdf}(3,1)}{6 \sqrt{35}}+\frac{\text{Bdf}(3,3)}{2 \sqrt{21}}-\frac{5}{33} \sqrt{\frac{2}{7}} \text{Bdf}(5,1)-\frac{5 \text{Bdf}(5,3)}{22 \sqrt{3}}-\frac{5}{22} \sqrt{\frac{5}{3}} \text{Bdf}(5,5) }$	$\color{darkred}{ -\frac{3 \text{Bdf}(1,1)}{\sqrt{70}}-\frac{1}{2} \sqrt{\frac{3}{35}} \text{Bdf}(3,1)+\frac{5 \text{Bdf}(3,3)}{6 \sqrt{7}}-\frac{5}{11} \sqrt{\frac{3}{14}} \text{Bdf}(5,1)-\frac{5}{33} \text{Bdf}(5,3) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{6}{35}} \text{Adf}(1,1)+\frac{\text{Adf}(3,1)}{6 \sqrt{35}}+\frac{\text{Adf}(3,3)}{2 \sqrt{21}}-\frac{5 \text{Adf}(5,1)}{33 \sqrt{14}}-\frac{5 \text{Adf}(5,3)}{22 \sqrt{3}}-\frac{5}{22} \sqrt{\frac{5}{3}} \text{Adf}(5,5) }$	$0$	$\frac{\text{Bff}(2,2)}{5 \sqrt{6}}-\frac{1}{11} \sqrt{10} \text{Bff}(4,2)-\frac{5}{572} \sqrt{\frac{35}{3}} \text{Bff}(6,2)+\frac{25}{52} \sqrt{\frac{7}{33}} \text{Bff}(6,6)$	$\text{Aff}(0,0)-\frac{2}{15} \text{Aff}(2,0)-\frac{2}{5} \sqrt{\frac{2}{3}} \text{Aff}(2,2)+\frac{3}{44} \text{Aff}(4,0)+\frac{1}{11} \sqrt{\frac{5}{2}} \text{Aff}(4,2)+\frac{1}{22} \sqrt{\frac{35}{2}} \text{Aff}(4,4)-\frac{125 \text{Aff}(6,0)}{1716}-\frac{25}{572} \sqrt{\frac{35}{3}} \text{Aff}(6,2)-\frac{25}{286} \sqrt{\frac{7}{2}} \text{Aff}(6,4)-\frac{25}{52} \sqrt{\frac{7}{33}} \text{Aff}(6,6)$	$0$	$-\frac{\text{Bff}(2,2)}{3 \sqrt{10}}-\frac{2}{11} \sqrt{\frac{2}{3}} \text{Bff}(4,2)+\frac{1}{11} \sqrt{\frac{14}{3}} \text{Bff}(4,4)-\frac{5}{132} \sqrt{7} \text{Bff}(6,2)-\frac{5}{143} \sqrt{\frac{70}{3}} \text{Bff}(6,4)-\frac{5}{52} \sqrt{\frac{35}{11}} \text{Bff}(6,6)$	$-\frac{\text{Aff}(2,0)}{\sqrt{15}}+\frac{1}{3} \sqrt{\frac{2}{5}} \text{Aff}(2,2)+\frac{1}{44} \sqrt{\frac{5}{3}} \text{Aff}(4,0)+\frac{\text{Aff}(4,2)}{11 \sqrt{6}}-\frac{1}{22} \sqrt{\frac{7}{6}} \text{Aff}(4,4)+\frac{35}{572} \sqrt{\frac{5}{3}} \text{Aff}(6,0)+\frac{85 \sqrt{7} \text{Aff}(6,2)}{1716}+\frac{5}{286} \sqrt{\frac{35}{6}} \text{Aff}(6,4)-\frac{5}{52} \sqrt{\frac{35}{11}} \text{Aff}(6,6)$	$0$
$f_{x\left(5z^2-r^2\right)}$	$\color{darkred}{ 0 }$	$0$	$0$	$\frac{3}{5} \sqrt{\frac{3}{7}} \text{Apf}(2,0)+\frac{4 \text{Apf}(4,0)}{3 \sqrt{21}}$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{6}{35}} \text{Bdf}(1,1)+\frac{2 \text{Bdf}(3,1)}{3 \sqrt{35}}+\frac{20}{33} \sqrt{\frac{2}{7}} \text{Bdf}(5,1) }$	$\color{darkred}{ \sqrt{\frac{6}{35}} \text{Adf}(1,1)-\frac{2 \text{Adf}(3,1)}{3 \sqrt{35}}-\frac{20}{33} \sqrt{\frac{2}{7}} \text{Adf}(5,1) }$	$\color{darkred}{ 0 }$	$\frac{2}{3} \sqrt{\frac{2}{5}} \text{Bff}(2,2)+\frac{1}{11} \sqrt{\frac{2}{3}} \text{Bff}(4,2)-\frac{40}{429} \sqrt{7} \text{Bff}(6,2)$	$0$	$0$	$\text{Aff}(0,0)+\frac{4}{15} \text{Aff}(2,0)+\frac{2}{11} \text{Aff}(4,0)+\frac{100}{429} \text{Aff}(6,0)$	$0$	$0$	$-\frac{2}{3} \sqrt{\frac{2}{5}} \text{Aff}(2,2)-\frac{1}{11} \sqrt{\frac{2}{3}} \text{Aff}(4,2)+\frac{40}{429} \sqrt{7} \text{Aff}(6,2)$
$f_{x\left(y^2-z^2\right)}$	$\color{darkred}{ \frac{1}{2} \sqrt{\frac{5}{7}} \text{Asf}(3,1)+\frac{1}{2} \sqrt{\frac{3}{7}} \text{Asf}(3,3) }$	$-\frac{3 \text{Apf}(2,0)}{2 \sqrt{35}}-\sqrt{\frac{3}{70}} \text{Apf}(2,2)+\frac{1}{6} \sqrt{\frac{5}{7}} \text{Apf}(4,0)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,2)-\frac{\text{Apf}(4,4)}{3 \sqrt{2}}$	$-\sqrt{\frac{6}{35}} \text{Bpf}(2,2)+\frac{\text{Bpf}(4,2)}{\sqrt{14}}+\frac{\text{Bpf}(4,4)}{3 \sqrt{2}}$	$0$	$\color{darkred}{ \frac{\text{Adf}(1,1)}{\sqrt{14}}+\frac{\text{Adf}(3,1)}{2 \sqrt{21}}-\frac{1}{6} \sqrt{\frac{5}{7}} \text{Adf}(3,3)-\frac{1}{11} \sqrt{\frac{10}{21}} \text{Adf}(5,1)+\frac{5}{66} \sqrt{5} \text{Adf}(5,3)+\frac{5}{22} \text{Adf}(5,5) }$	$\color{darkred}{ \sqrt{\frac{3}{14}} \text{Adf}(1,1)+\frac{\text{Adf}(3,1)}{2 \sqrt{7}}-\frac{1}{2} \sqrt{\frac{5}{21}} \text{Adf}(3,3)+\frac{5}{11} \sqrt{\frac{5}{14}} \text{Adf}(5,1)+\frac{1}{11} \sqrt{\frac{5}{3}} \text{Adf}(5,3) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{2}{7}} \text{Bdf}(1,1)-\frac{1}{2} \sqrt{\frac{3}{7}} \text{Bdf}(3,1)+\frac{1}{6} \sqrt{\frac{5}{7}} \text{Bdf}(3,3)+\frac{1}{11} \sqrt{\frac{15}{14}} \text{Bdf}(5,1)-\frac{5}{66} \sqrt{5} \text{Bdf}(5,3)-\frac{5}{22} \text{Bdf}(5,5) }$	$0$	$\frac{\text{Aff}(2,0)}{\sqrt{15}}+\frac{1}{3} \sqrt{\frac{2}{5}} \text{Aff}(2,2)-\frac{1}{44} \sqrt{\frac{5}{3}} \text{Aff}(4,0)+\frac{\text{Aff}(4,2)}{11 \sqrt{6}}+\frac{1}{22} \sqrt{\frac{7}{6}} \text{Aff}(4,4)-\frac{35}{572} \sqrt{\frac{5}{3}} \text{Aff}(6,0)+\frac{85 \sqrt{7} \text{Aff}(6,2)}{1716}-\frac{5}{286} \sqrt{\frac{35}{6}} \text{Aff}(6,4)-\frac{5}{52} \sqrt{\frac{35}{11}} \text{Aff}(6,6)$	$-\frac{\text{Bff}(2,2)}{3 \sqrt{10}}-\frac{2}{11} \sqrt{\frac{2}{3}} \text{Bff}(4,2)+\frac{1}{11} \sqrt{\frac{14}{3}} \text{Bff}(4,4)-\frac{5}{132} \sqrt{7} \text{Bff}(6,2)-\frac{5}{143} \sqrt{\frac{70}{3}} \text{Bff}(6,4)-\frac{5}{52} \sqrt{\frac{35}{11}} \text{Bff}(6,6)$	$0$	$\text{Aff}(0,0)+\frac{7}{132} \text{Aff}(4,0)+\frac{7}{33} \sqrt{\frac{5}{2}} \text{Aff}(4,2)-\frac{1}{22} \sqrt{\frac{35}{2}} \text{Aff}(4,4)-\frac{5}{44} \text{Aff}(6,0)+\frac{5}{572} \sqrt{105} \text{Aff}(6,2)+\frac{25}{286} \sqrt{\frac{7}{2}} \text{Aff}(6,4)+\frac{5}{52} \sqrt{\frac{21}{11}} \text{Aff}(6,6)$	$\frac{\text{Bff}(2,2)}{\sqrt{6}}-\frac{1}{33} \sqrt{10} \text{Bff}(4,2)+\frac{35}{572} \sqrt{\frac{35}{3}} \text{Bff}(6,2)-\frac{5}{52} \sqrt{\frac{21}{11}} \text{Bff}(6,6)$	$0$
$f_{y\left(z^2-x^2\right)}$	$\color{darkred}{ \frac{1}{2} \sqrt{\frac{5}{7}} \text{Bsf}(3,1)-\frac{1}{2} \sqrt{\frac{3}{7}} \text{Bsf}(3,3) }$	$\sqrt{\frac{6}{35}} \text{Bpf}(2,2)-\frac{\text{Bpf}(4,2)}{\sqrt{14}}+\frac{\text{Bpf}(4,4)}{3 \sqrt{2}}$	$\frac{3 \text{Apf}(2,0)}{2 \sqrt{35}}-\sqrt{\frac{3}{70}} \text{Apf}(2,2)-\frac{1}{6} \sqrt{\frac{5}{7}} \text{Apf}(4,0)-\frac{1}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,2)+\frac{\text{Apf}(4,4)}{3 \sqrt{2}}$	$0$	$\color{darkred}{ -\frac{\text{Bdf}(1,1)}{\sqrt{14}}-\frac{\text{Bdf}(3,1)}{2 \sqrt{21}}-\frac{1}{6} \sqrt{\frac{5}{7}} \text{Bdf}(3,3)+\frac{1}{11} \sqrt{\frac{10}{21}} \text{Bdf}(5,1)+\frac{5}{66} \sqrt{5} \text{Bdf}(5,3)-\frac{5}{22} \text{Bdf}(5,5) }$	$\color{darkred}{ \sqrt{\frac{3}{14}} \text{Bdf}(1,1)+\frac{\text{Bdf}(3,1)}{2 \sqrt{7}}+\frac{1}{2} \sqrt{\frac{5}{21}} \text{Bdf}(3,3)+\frac{5}{11} \sqrt{\frac{5}{14}} \text{Bdf}(5,1)-\frac{1}{11} \sqrt{\frac{5}{3}} \text{Bdf}(5,3) }$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ \sqrt{\frac{2}{7}} \text{Adf}(1,1)-\frac{1}{2} \sqrt{\frac{3}{7}} \text{Adf}(3,1)-\frac{1}{6} \sqrt{\frac{5}{7}} \text{Adf}(3,3)+\frac{1}{11} \sqrt{\frac{15}{14}} \text{Adf}(5,1)+\frac{5}{66} \sqrt{5} \text{Adf}(5,3)-\frac{5}{22} \text{Adf}(5,5) }$	$0$	$\frac{\text{Bff}(2,2)}{3 \sqrt{10}}+\frac{2}{11} \sqrt{\frac{2}{3}} \text{Bff}(4,2)+\frac{1}{11} \sqrt{\frac{14}{3}} \text{Bff}(4,4)+\frac{5}{132} \sqrt{7} \text{Bff}(6,2)-\frac{5}{143} \sqrt{\frac{70}{3}} \text{Bff}(6,4)+\frac{5}{52} \sqrt{\frac{35}{11}} \text{Bff}(6,6)$	$-\frac{\text{Aff}(2,0)}{\sqrt{15}}+\frac{1}{3} \sqrt{\frac{2}{5}} \text{Aff}(2,2)+\frac{1}{44} \sqrt{\frac{5}{3}} \text{Aff}(4,0)+\frac{\text{Aff}(4,2)}{11 \sqrt{6}}-\frac{1}{22} \sqrt{\frac{7}{6}} \text{Aff}(4,4)+\frac{35}{572} \sqrt{\frac{5}{3}} \text{Aff}(6,0)+\frac{85 \sqrt{7} \text{Aff}(6,2)}{1716}+\frac{5}{286} \sqrt{\frac{35}{6}} \text{Aff}(6,4)-\frac{5}{52} \sqrt{\frac{35}{11}} \text{Aff}(6,6)$	$0$	$\frac{\text{Bff}(2,2)}{\sqrt{6}}-\frac{1}{33} \sqrt{10} \text{Bff}(4,2)+\frac{35}{572} \sqrt{\frac{35}{3}} \text{Bff}(6,2)-\frac{5}{52} \sqrt{\frac{21}{11}} \text{Bff}(6,6)$	$\text{Aff}(0,0)+\frac{7}{132} \text{Aff}(4,0)-\frac{7}{33} \sqrt{\frac{5}{2}} \text{Aff}(4,2)-\frac{1}{22} \sqrt{\frac{35}{2}} \text{Aff}(4,4)-\frac{5}{44} \text{Aff}(6,0)-\frac{5}{572} \sqrt{105} \text{Aff}(6,2)+\frac{25}{286} \sqrt{\frac{7}{2}} \text{Aff}(6,4)-\frac{5}{52} \sqrt{\frac{21}{11}} \text{Aff}(6,6)$	$0$
$f_{z\left(x^2-y^2\right)}$	$\color{darkred}{ 0 }$	$0$	$0$	$\sqrt{\frac{6}{35}} \text{Apf}(2,2)+\frac{2}{3} \sqrt{\frac{2}{7}} \text{Apf}(4,2)$	$\color{darkred}{ 0 }$	$\color{darkred}{ 0 }$	$\color{darkred}{ -\sqrt{\frac{2}{7}} \text{Bdf}(1,1)-\frac{\text{Bdf}(3,1)}{\sqrt{21}}+\frac{1}{3} \sqrt{\frac{5}{7}} \text{Bdf}(3,3)+\frac{2}{11} \sqrt{\frac{10}{21}} \text{Bdf}(5,1)+\frac{4}{33} \sqrt{5} \text{Bdf}(5,3) }$	$\color{darkred}{ -\sqrt{\frac{2}{7}} \text{Adf}(1,1)-\frac{\text{Adf}(3,1)}{\sqrt{21}}-\frac{1}{3} \sqrt{\frac{5}{7}} \text{Adf}(3,3)+\frac{2}{11} \sqrt{\frac{10}{21}} \text{Adf}(5,1)-\frac{4}{33} \sqrt{5} \text{Adf}(5,3) }$	$\color{darkred}{ 0 }$	$-\frac{1}{33} \sqrt{70} \text{Bff}(4,4)-\frac{10}{143} \sqrt{14} \text{Bff}(6,4)$	$0$	$0$	$-\frac{2}{3} \sqrt{\frac{2}{5}} \text{Aff}(2,2)-\frac{1}{11} \sqrt{\frac{2}{3}} \text{Aff}(4,2)+\frac{40}{429} \sqrt{7} \text{Aff}(6,2)$	$0$	$0$	$\text{Aff}(0,0)-\frac{7}{33} \text{Aff}(4,0)+\frac{1}{33} \sqrt{70} \text{Aff}(4,4)+\frac{10}{143} \text{Aff}(6,0)+\frac{10}{143} \sqrt{14} \text{Aff}(6,4)$

Coupling for a single shell

Although the parameters $A_{l'',l'}(k,m)$ uniquely define the potential, there is no simple relation between these paramters and the eigenstates of the potential. In this section we replace the parameters $A_{l'',l'}(k,m)$ by paramters that relate to the eigen energies of the potential acting on or between two shells with angular momentum $l''$ and $l'$ .

Potential for s orbitals

Input format suitable for Mathematica (Quanty.nb)

$A_{k,m} = \begin{cases} \text{Eag} & k=0\land m=0 \\ 0 & \text{True} \end{cases}$

Input format suitable for Quanty

Akm_Cs_Z.Quanty

Akm = {{0, 0, Eag} }

The Hamiltonian on a basis of spherical Harmonics

	${Y_{0}^{(0)}}$
${Y_{0}^{(0)}}$	$\text{Eag}$

The Hamiltonian on a basis of symmetric functions

	$\text{s}$
$\text{s}$	$\text{Eag}$

Rotation matrix used

TODO

Irriducible representations and their onsite energy

TODO

Potential for p orbitals

Input format suitable for Mathematica (Quanty.nb)

$A_{k,m} = \begin{cases} \frac{1}{3} (\text{Epxpx}+\text{Epypy}+\text{Epzpz}) & k=0\land m=0 \\ \frac{5 (\text{Epxpx}+2 i \text{Epypx}-\text{Epypy})}{2 \sqrt{6}} & k=2\land m=-2 \\ \frac{5 (\text{Epzpx}+i \text{Epypz})}{\sqrt{6}} & k=2\land m=-1 \\ -\frac{5}{6} (\text{Epxpx}+\text{Epypy}-2 \text{Epzpz}) & k=2\land m=0 \\ \frac{5 i (\text{Epypz}+i \text{Epzpx})}{\sqrt{6}} & k=2\land m=1 \\ \frac{5 (\text{Epxpx}-2 i \text{Epypx}-\text{Epypy})}{2 \sqrt{6}} & k=2\land m=2 \end{cases}$

Input format suitable for Quanty

Akm_Cs_Z.Quanty

Akm = {{0, 0, (1/3)*(Epxpx + Epypy + Epzpz)} , 
       {2, 0, (-5/6)*(Epxpx + Epypy + (-2)*(Epzpz))} , 
       {2,-1, (5)*((1/(sqrt(6)))*((I)*(Epypz) + Epzpx))} , 
       {2, 1, (5*I)*((1/(sqrt(6)))*(Epypz + (I)*(Epzpx)))} , 
       {2, 2, (5/2)*((1/(sqrt(6)))*(Epxpx + (-2*I)*(Epypx) + (-1)*(Epypy)))} , 
       {2,-2, (5/2)*((1/(sqrt(6)))*(Epxpx + (2*I)*(Epypx) + (-1)*(Epypy)))} }

The Hamiltonian on a basis of spherical Harmonics

	${Y_{-1}^{(1)}}$	${Y_{0}^{(1)}}$	${Y_{1}^{(1)}}$
${Y_{-1}^{(1)}}$	$\frac{\text{Epxpx}+\text{Epypy}}{2}$	$\frac{\text{Epzpx}+i \text{Epypz}}{\sqrt{2}}$	$\frac{1}{2} (-\text{Epxpx}-2 i \text{Epypx}+\text{Epypy})$
${Y_{0}^{(1)}}$	$\frac{\text{Epzpx}-i \text{Epypz}}{\sqrt{2}}$	$\text{Epzpz}$	$-\frac{\text{Epzpx}+i \text{Epypz}}{\sqrt{2}}$
${Y_{1}^{(1)}}$	$\frac{1}{2} (-\text{Epxpx}+2 i \text{Epypx}+\text{Epypy})$	$\frac{i (\text{Epypz}+i \text{Epzpx})}{\sqrt{2}}$	$\frac{\text{Epxpx}+\text{Epypy}}{2}$

The Hamiltonian on a basis of symmetric functions

	$p_x$	$p_y$	$p_z$
$p_x$	$\text{Epxpx}$	$\text{Epypx}$	$\text{Epzpx}$
$p_y$	$\text{Epypx}$	$\text{Epypy}$	$\text{Epypz}$
$p_z$	$\text{Epzpx}$	$\text{Epypz}$	$\text{Epzpz}$

Rotation matrix used

TODO

Irriducible representations and their onsite energy

TODO

Potential for d orbitals

Input format suitable for Mathematica (Quanty.nb)

$A_{k,m} = \begin{cases} \frac{1}{5} (\text{Edx2y2dx2y2}+\text{Edxydxy}+\text{Edxzdxz}+\text{Edyzdyz}+\text{Edz2dz2}) & k=0\land m=0 \\ \frac{-4 i \text{Edxydz2}+\sqrt{3} \text{Edxzdxz}+2 i \sqrt{3} \text{Edyzdxz}-\sqrt{3} \text{Edyzdyz}-4 \text{Edz2dx2y2}}{2 \sqrt{2}} & k=2\land m=-2 \\ \frac{i \sqrt{3} \text{Edxydxz}+\sqrt{3} \text{Edxydyz}+\sqrt{3} \text{Edxzdx2y2}-i \sqrt{3} \text{Edyzdx2y2}+i \text{Edyzdz2}+\text{Edz2dxz}}{\sqrt{2}} & k=2\land m=-1 \\ -\text{Edx2y2dx2y2}-\text{Edxydxy}+\frac{\text{Edxzdxz}+\text{Edyzdyz}}{2}+\text{Edz2dz2} & k=2\land m=0 \\ \frac{i \left(\sqrt{3} \text{Edxydxz}+i \sqrt{3} \text{Edxydyz}+i \sqrt{3} \text{Edxzdx2y2}-\sqrt{3} \text{Edyzdx2y2}+\text{Edyzdz2}+i \text{Edz2dxz}\right)}{\sqrt{2}} & k=2\land m=1 \\ \frac{4 i \text{Edxydz2}+\sqrt{3} \text{Edxzdxz}-2 i \sqrt{3} \text{Edyzdxz}-\sqrt{3} \text{Edyzdyz}-4 \text{Edz2dx2y2}}{2 \sqrt{2}} & k=2\land m=2 \\ \frac{3}{2} \sqrt{\frac{7}{10}} (\text{Edx2y2dx2y2}+2 i \text{Edxydx2y2}-\text{Edxydxy}) & k=4\land m=-4 \\ \frac{3}{2} \sqrt{\frac{7}{5}} (i \text{Edxydxz}-\text{Edxydyz}+\text{Edxzdx2y2}+i \text{Edyzdx2y2}) & k=4\land m=-3 \\ \frac{3 \left(i \sqrt{3} \text{Edxydz2}+\text{Edxzdxz}+2 i \text{Edyzdxz}-\text{Edyzdyz}+\sqrt{3} \text{Edz2dx2y2}\right)}{\sqrt{10}} & k=4\land m=-2 \\ \frac{3 \left(-i \text{Edxydxz}-\text{Edxydyz}-\text{Edxzdx2y2}+i \text{Edyzdx2y2}+2 i \sqrt{3} \text{Edyzdz2}+2 \sqrt{3} \text{Edz2dxz}\right)}{2 \sqrt{5}} & k=4\land m=-1 \\ \frac{3}{10} (\text{Edx2y2dx2y2}+\text{Edxydxy}-4 (\text{Edxzdxz}+\text{Edyzdyz})+6 \text{Edz2dz2}) & k=4\land m=0 \\ \frac{3 \left(-i \text{Edxydxz}+\text{Edxydyz}+\text{Edxzdx2y2}+i \text{Edyzdx2y2}+2 i \sqrt{3} \text{Edyzdz2}-2 \sqrt{3} \text{Edz2dxz}\right)}{2 \sqrt{5}} & k=4\land m=1 \\ \frac{3 \left(-i \sqrt{3} \text{Edxydz2}+\text{Edxzdxz}-2 i \text{Edyzdxz}-\text{Edyzdyz}+\sqrt{3} \text{Edz2dx2y2}\right)}{\sqrt{10}} & k=4\land m=2 \\ \frac{3}{2} \sqrt{\frac{7}{5}} (i \text{Edxydxz}+\text{Edxydyz}-\text{Edxzdx2y2}+i \text{Edyzdx2y2}) & k=4\land m=3 \\ \frac{3}{2} \sqrt{\frac{7}{10}} (\text{Edx2y2dx2y2}-2 i \text{Edxydx2y2}-\text{Edxydxy}) & k=4\land m=4 \end{cases}$

Input format suitable for Quanty

Akm_Cs_Z.Quanty

Akm = {{0, 0, (1/5)*(Edx2y2dx2y2 + Edxydxy + Edxzdxz + Edyzdyz + Edz2dz2)} , 
       {2, 0, (-1)*(Edx2y2dx2y2) + (-1)*(Edxydxy) + (1/2)*(Edxzdxz + Edyzdyz) + Edz2dz2} , 
       {2,-1, (1/(sqrt(2)))*((I)*((sqrt(3))*(Edxydxz)) + (sqrt(3))*(Edxydyz) + (sqrt(3))*(Edxzdx2y2) + (-I)*((sqrt(3))*(Edyzdx2y2)) + (I)*(Edyzdz2) + Edz2dxz)} , 
       {2, 1, (I)*((1/(sqrt(2)))*((sqrt(3))*(Edxydxz) + (I)*((sqrt(3))*(Edxydyz)) + (I)*((sqrt(3))*(Edxzdx2y2)) + (-1)*((sqrt(3))*(Edyzdx2y2)) + Edyzdz2 + (I)*(Edz2dxz)))} , 
       {2,-2, (1/2)*((1/(sqrt(2)))*((-4*I)*(Edxydz2) + (sqrt(3))*(Edxzdxz) + (2*I)*((sqrt(3))*(Edyzdxz)) + (-1)*((sqrt(3))*(Edyzdyz)) + (-4)*(Edz2dx2y2)))} , 
       {2, 2, (1/2)*((1/(sqrt(2)))*((4*I)*(Edxydz2) + (sqrt(3))*(Edxzdxz) + (-2*I)*((sqrt(3))*(Edyzdxz)) + (-1)*((sqrt(3))*(Edyzdyz)) + (-4)*(Edz2dx2y2)))} , 
       {4, 0, (3/10)*(Edx2y2dx2y2 + Edxydxy + (-4)*(Edxzdxz + Edyzdyz) + (6)*(Edz2dz2))} , 
       {4,-1, (3/2)*((1/(sqrt(5)))*((-I)*(Edxydxz) + (-1)*(Edxydyz) + (-1)*(Edxzdx2y2) + (I)*(Edyzdx2y2) + (2*I)*((sqrt(3))*(Edyzdz2)) + (2)*((sqrt(3))*(Edz2dxz))))} , 
       {4, 1, (3/2)*((1/(sqrt(5)))*((-I)*(Edxydxz) + Edxydyz + Edxzdx2y2 + (I)*(Edyzdx2y2) + (2*I)*((sqrt(3))*(Edyzdz2)) + (-2)*((sqrt(3))*(Edz2dxz))))} , 
       {4, 2, (3)*((1/(sqrt(10)))*((-I)*((sqrt(3))*(Edxydz2)) + Edxzdxz + (-2*I)*(Edyzdxz) + (-1)*(Edyzdyz) + (sqrt(3))*(Edz2dx2y2)))} , 
       {4,-2, (3)*((1/(sqrt(10)))*((I)*((sqrt(3))*(Edxydz2)) + Edxzdxz + (2*I)*(Edyzdxz) + (-1)*(Edyzdyz) + (sqrt(3))*(Edz2dx2y2)))} , 
       {4,-3, (3/2)*((sqrt(7/5))*((I)*(Edxydxz) + (-1)*(Edxydyz) + Edxzdx2y2 + (I)*(Edyzdx2y2)))} , 
       {4, 3, (3/2)*((sqrt(7/5))*((I)*(Edxydxz) + Edxydyz + (-1)*(Edxzdx2y2) + (I)*(Edyzdx2y2)))} , 
       {4, 4, (3/2)*((sqrt(7/10))*(Edx2y2dx2y2 + (-2*I)*(Edxydx2y2) + (-1)*(Edxydxy)))} , 
       {4,-4, (3/2)*((sqrt(7/10))*(Edx2y2dx2y2 + (2*I)*(Edxydx2y2) + (-1)*(Edxydxy)))} }

The Hamiltonian on a basis of spherical Harmonics

	${Y_{-2}^{(2)}}$	${Y_{-1}^{(2)}}$	${Y_{0}^{(2)}}$	${Y_{1}^{(2)}}$	${Y_{2}^{(2)}}$
${Y_{-2}^{(2)}}$	$\frac{\text{Edx2y2dx2y2}+\text{Edxydxy}}{2}$	$\frac{1}{2} (i \text{Edxydxz}+\text{Edxydyz}+\text{Edxzdx2y2}-i \text{Edyzdx2y2})$	$\frac{\text{Edz2dx2y2}+i \text{Edxydz2}}{\sqrt{2}}$	$-\frac{1}{2} i (\text{Edxydxz}+i (\text{Edxydyz}-\text{Edxzdx2y2})+\text{Edyzdx2y2})$	$\frac{1}{2} (\text{Edx2y2dx2y2}+2 i \text{Edxydx2y2}-\text{Edxydxy})$
${Y_{-1}^{(2)}}$	$\frac{1}{2} (-i \text{Edxydxz}+\text{Edxydyz}+\text{Edxzdx2y2}+i \text{Edyzdx2y2})$	$\frac{\text{Edxzdxz}+\text{Edyzdyz}}{2}$	$\frac{\text{Edz2dxz}+i \text{Edyzdz2}}{\sqrt{2}}$	$\frac{1}{2} (-\text{Edxzdxz}-2 i \text{Edyzdxz}+\text{Edyzdyz})$	$\frac{1}{2} i (\text{Edxydxz}+i (\text{Edxydyz}-\text{Edxzdx2y2})+\text{Edyzdx2y2})$
${Y_{0}^{(2)}}$	$\frac{\text{Edz2dx2y2}-i \text{Edxydz2}}{\sqrt{2}}$	$\frac{\text{Edz2dxz}-i \text{Edyzdz2}}{\sqrt{2}}$	$\text{Edz2dz2}$	$\frac{-\text{Edz2dxz}-i \text{Edyzdz2}}{\sqrt{2}}$	$\frac{\text{Edz2dx2y2}+i \text{Edxydz2}}{\sqrt{2}}$
${Y_{1}^{(2)}}$	$\frac{1}{2} i (\text{Edxydxz}-i \text{Edxydyz}+i \text{Edxzdx2y2}+\text{Edyzdx2y2})$	$\frac{1}{2} (-\text{Edxzdxz}+2 i \text{Edyzdxz}+\text{Edyzdyz})$	$\frac{i (\text{Edyzdz2}+i \text{Edz2dxz})}{\sqrt{2}}$	$\frac{\text{Edxzdxz}+\text{Edyzdyz}}{2}$	$-\frac{1}{2} i (\text{Edxydxz}-i (\text{Edxydyz}+\text{Edxzdx2y2})-\text{Edyzdx2y2})$
${Y_{2}^{(2)}}$	$\frac{1}{2} (\text{Edx2y2dx2y2}-2 i \text{Edxydx2y2}-\text{Edxydxy})$	$-\frac{1}{2} i (\text{Edxydxz}-i \text{Edxydyz}+i \text{Edxzdx2y2}+\text{Edyzdx2y2})$	$\frac{\text{Edz2dx2y2}-i \text{Edxydz2}}{\sqrt{2}}$	$\frac{1}{2} i (\text{Edxydxz}+i (\text{Edxydyz}+\text{Edxzdx2y2}+i \text{Edyzdx2y2}))$	$\frac{\text{Edx2y2dx2y2}+\text{Edxydxy}}{2}$

The Hamiltonian on a basis of symmetric functions

	$d_{x^2-y^2}$	$d_{3z^2-r^2}$	$d_{\text{yz}}$	$d_{\text{xz}}$	$d_{\text{xy}}$
$d_{x^2-y^2}$	$\text{Edx2y2dx2y2}$	$\text{Edz2dx2y2}$	$\text{Edyzdx2y2}$	$\text{Edxzdx2y2}$	$\text{Edxydx2y2}$
$d_{3z^2-r^2}$	$\text{Edz2dx2y2}$	$\text{Edz2dz2}$	$\text{Edyzdz2}$	$\text{Edz2dxz}$	$\text{Edxydz2}$
$d_{\text{yz}}$	$\text{Edyzdx2y2}$	$\text{Edyzdz2}$	$\text{Edyzdyz}$	$\text{Edyzdxz}$	$\text{Edxydyz}$
$d_{\text{xz}}$	$\text{Edxzdx2y2}$	$\text{Edz2dxz}$	$\text{Edyzdxz}$	$\text{Edxzdxz}$	$\text{Edxydxz}$
$d_{\text{xy}}$	$\text{Edxydx2y2}$	$\text{Edxydz2}$	$\text{Edxydyz}$	$\text{Edxydxz}$	$\text{Edxydxy}$

Rotation matrix used

TODO

Irriducible representations and their onsite energy

TODO

Potential for f orbitals

Input format suitable for Mathematica (Quanty.nb)

Input format suitable for Quanty

Akm_Cs_Z.Quanty

Akm = {{0, 0, A(0,0)} , 
       {1,-1, (-1)*(A(1,1)) + (I)*(Ap(1,1))} , 
       {1, 1, A(1,1) + (I)*(Ap(1,1))} , 
       {2, 0, A(2,0)} , 
       {2,-2, A(2,2) + (-I)*(Ap(2,2))} , 
       {2, 2, A(2,2) + (I)*(Ap(2,2))} , 
       {3,-1, (-1)*(A(3,1)) + (I)*(Ap(3,1))} , 
       {3, 1, A(3,1) + (I)*(Ap(3,1))} , 
       {3,-3, (-1)*(A(3,3)) + (I)*(Ap(3,3))} , 
       {3, 3, A(3,3) + (I)*(Ap(3,3))} , 
       {4, 0, A(4,0)} , 
       {4,-2, A(4,2) + (-I)*(Ap(4,2))} , 
       {4, 2, A(4,2) + (I)*(Ap(4,2))} , 
       {4,-4, A(4,4) + (-I)*(Ap(4,4))} , 
       {4, 4, A(4,4) + (I)*(Ap(4,4))} , 
       {5,-1, (-1)*(A(5,1)) + (I)*(Ap(5,1))} , 
       {5, 1, A(5,1) + (I)*(Ap(5,1))} , 
       {5,-3, (-1)*(A(5,3)) + (I)*(Ap(5,3))} , 
       {5, 3, A(5,3) + (I)*(Ap(5,3))} , 
       {5,-5, (-1)*(A(5,5)) + (I)*(Ap(5,5))} , 
       {5, 5, A(5,5) + (I)*(Ap(5,5))} , 
       {6, 0, A(6,0)} , 
       {6,-2, A(6,2) + (-I)*(Ap(6,2))} , 
       {6, 2, A(6,2) + (I)*(Ap(6,2))} , 
       {6,-4, A(6,4) + (-I)*(Ap(6,4))} , 
       {6, 4, A(6,4) + (I)*(Ap(6,4))} , 
       {6,-6, A(6,6) + (-I)*(Ap(6,6))} , 
       {6, 6, A(6,6) + (I)*(Ap(6,6))} }

The Hamiltonian on a basis of spherical Harmonics

	${Y_{-3}^{(3)}}$	${Y_{-2}^{(3)}}$	${Y_{-1}^{(3)}}$	${Y_{0}^{(3)}}$	${Y_{1}^{(3)}}$	${Y_{2}^{(3)}}$	${Y_{3}^{(3)}}$
${Y_{-3}^{(3)}}$	$A(0,0)-\frac{1}{3} A(2,0)+\frac{1}{11} A(4,0)-\frac{5}{429} A(6,0)$	$0$	$-\frac{1}{3} \sqrt{\frac{2}{5}} (A(2,2)-i \text{Ap}(2,2))+\frac{1}{11} \sqrt{6} (A(4,2)-i \text{Ap}(4,2))-\frac{10}{429} \sqrt{7} (A(6,2)-i \text{Ap}(6,2))$	$0$	$\frac{1}{143} \sqrt{\frac{14}{3}} \left(13 (A(4,4)-i \text{Ap}(4,4))-5 \sqrt{5} (A(6,4)-i \text{Ap}(6,4))\right)$	$0$	$-\frac{10}{13} \sqrt{\frac{7}{33}} (A(6,6)-i \text{Ap}(6,6))$
${Y_{-2}^{(3)}}$	$0$	$A(0,0)-\frac{7}{33} A(4,0)+\frac{10}{143} A(6,0)$	$0$	$-\frac{2 (A(2,2)-i \text{Ap}(2,2))}{3 \sqrt{5}}-\frac{A(4,2)-i \text{Ap}(4,2)}{11 \sqrt{3}}+\frac{20}{429} \sqrt{14} (A(6,2)-i \text{Ap}(6,2))$	$0$	$\frac{1}{429} \sqrt{14} \left(13 \sqrt{5} (A(4,4)-i \text{Ap}(4,4))+30 (A(6,4)-i \text{Ap}(6,4))\right)$	$0$
${Y_{-1}^{(3)}}$	$-\frac{1}{3} \sqrt{\frac{2}{5}} (A(2,2)+i \text{Ap}(2,2))+\frac{1}{11} \sqrt{6} (A(4,2)+i \text{Ap}(4,2))-\frac{10}{429} \sqrt{7} (A(6,2)+i \text{Ap}(6,2))$	$0$	$A(0,0)+\frac{1}{5} A(2,0)+\frac{1}{33} A(4,0)-\frac{25}{143} A(6,0)$	$0$	$\frac{2 \left(-143 \sqrt{6} (A(2,2)-i \text{Ap}(2,2))-65 \sqrt{10} (A(4,2)-i \text{Ap}(4,2))-25 \sqrt{105} (A(6,2)-i \text{Ap}(6,2))\right)}{2145}$	$0$	$\frac{1}{143} \sqrt{\frac{14}{3}} \left(13 (A(4,4)-i \text{Ap}(4,4))-5 \sqrt{5} (A(6,4)-i \text{Ap}(6,4))\right)$
${Y_{0}^{(3)}}$	$0$	$-\frac{2 (A(2,2)+i \text{Ap}(2,2))}{3 \sqrt{5}}-\frac{A(4,2)+i \text{Ap}(4,2)}{11 \sqrt{3}}+\frac{20}{429} \sqrt{14} (A(6,2)+i \text{Ap}(6,2))$	$0$	$A(0,0)+\frac{4}{15} A(2,0)+\frac{2}{429} (39 A(4,0)+50 A(6,0))$	$0$	$-\frac{2 (A(2,2)-i \text{Ap}(2,2))}{3 \sqrt{5}}-\frac{A(4,2)-i \text{Ap}(4,2)}{11 \sqrt{3}}+\frac{20}{429} \sqrt{14} (A(6,2)-i \text{Ap}(6,2))$	$0$
${Y_{1}^{(3)}}$	$\frac{1}{143} \sqrt{\frac{14}{3}} \left(13 (A(4,4)+i \text{Ap}(4,4))-5 \sqrt{5} (A(6,4)+i \text{Ap}(6,4))\right)$	$0$	$\frac{2 \left(-143 \sqrt{6} (A(2,2)+i \text{Ap}(2,2))-65 \sqrt{10} (A(4,2)+i \text{Ap}(4,2))-25 \sqrt{105} (A(6,2)+i \text{Ap}(6,2))\right)}{2145}$	$0$	$A(0,0)+\frac{1}{5} A(2,0)+\frac{1}{33} A(4,0)-\frac{25}{143} A(6,0)$	$0$	$-\frac{1}{3} \sqrt{\frac{2}{5}} (A(2,2)-i \text{Ap}(2,2))+\frac{1}{11} \sqrt{6} (A(4,2)-i \text{Ap}(4,2))-\frac{10}{429} \sqrt{7} (A(6,2)-i \text{Ap}(6,2))$
${Y_{2}^{(3)}}$	$0$	$\frac{1}{429} \sqrt{14} \left(13 \sqrt{5} (A(4,4)+i \text{Ap}(4,4))+30 (A(6,4)+i \text{Ap}(6,4))\right)$	$0$	$-\frac{2 (A(2,2)+i \text{Ap}(2,2))}{3 \sqrt{5}}-\frac{A(4,2)+i \text{Ap}(4,2)}{11 \sqrt{3}}+\frac{20}{429} \sqrt{14} (A(6,2)+i \text{Ap}(6,2))$	$0$	$A(0,0)-\frac{7}{33} A(4,0)+\frac{10}{143} A(6,0)$	$0$
${Y_{3}^{(3)}}$	$-\frac{10}{13} \sqrt{\frac{7}{33}} (A(6,6)+i \text{Ap}(6,6))$	$0$	$\frac{1}{143} \sqrt{\frac{14}{3}} \left(13 (A(4,4)+i \text{Ap}(4,4))-5 \sqrt{5} (A(6,4)+i \text{Ap}(6,4))\right)$	$0$	$-\frac{1}{3} \sqrt{\frac{2}{5}} (A(2,2)+i \text{Ap}(2,2))+\frac{1}{11} \sqrt{6} (A(4,2)+i \text{Ap}(4,2))-\frac{10}{429} \sqrt{7} (A(6,2)+i \text{Ap}(6,2))$	$0$	$A(0,0)-\frac{1}{3} A(2,0)+\frac{1}{11} A(4,0)-\frac{5}{429} A(6,0)$

The Hamiltonian on a basis of symmetric functions

	$f_{\text{xyz}}$	$f_{x\left(5x^2-r^2\right)}$	$f_{y\left(5y^2-r^2\right)}$	$f_{x\left(5z^2-r^2\right)}$	$f_{x\left(y^2-z^2\right)}$	$f_{y\left(z^2-x^2\right)}$	$f_{z\left(x^2-y^2\right)}$
$f_{\text{xyz}}$	$\frac{1}{429} \left(429 A(0,0)-91 A(4,0)-13 \sqrt{70} A(4,4)+30 A(6,0)-30 \sqrt{14} A(6,4)\right)$	$0$	$0$	$\frac{286 \sqrt{10} \text{Ap}(2,2)+65 \sqrt{6} \text{Ap}(4,2)-200 \sqrt{7} \text{Ap}(6,2)}{2145}$	$0$	$0$	$-\frac{1}{429} \sqrt{14} \left(13 \sqrt{5} \text{Ap}(4,4)+30 \text{Ap}(6,4)\right)$
$f_{x\left(5x^2-r^2\right)}$	$0$	$\frac{8580 A(0,0)-1144 A(2,0)+1144 \sqrt{6} A(2,2)+585 A(4,0)-390 \sqrt{10} A(4,2)+195 \sqrt{70} A(4,4)-625 A(6,0)+125 \sqrt{105} A(6,2)-375 \sqrt{14} A(6,4)+125 \sqrt{231} A(6,6)}{8580}$	$\frac{286 \sqrt{6} \text{Ap}(2,2)-780 \sqrt{10} \text{Ap}(4,2)-25 \sqrt{105} \text{Ap}(6,2)+125 \sqrt{231} \text{Ap}(6,6)}{8580}$	$0$	$\frac{572 \sqrt{15} A(2,0)+572 \sqrt{10} A(2,2)-5 \left(13 \sqrt{15} A(4,0)-26 \sqrt{6} A(4,2)-13 \sqrt{42} A(4,4)+35 \sqrt{15} A(6,0)-85 \sqrt{7} A(6,2)+5 \sqrt{210} A(6,4)+15 \sqrt{385} A(6,6)\right)}{8580}$	$\frac{286 \sqrt{10} \text{Ap}(2,2)+5 \left(104 \sqrt{6} \text{Ap}(4,2)+\sqrt{7} \left(52 \sqrt{6} \text{Ap}(4,4)+65 \text{Ap}(6,2)-20 \sqrt{30} \text{Ap}(6,4)+15 \sqrt{55} \text{Ap}(6,6)\right)\right)}{8580}$	$0$
$f_{y\left(5y^2-r^2\right)}$	$0$	$\frac{286 \sqrt{6} \text{Ap}(2,2)-780 \sqrt{10} \text{Ap}(4,2)-25 \sqrt{105} \text{Ap}(6,2)+125 \sqrt{231} \text{Ap}(6,6)}{8580}$	$\frac{8580 A(0,0)-1144 A(2,0)-1144 \sqrt{6} A(2,2)+585 A(4,0)+390 \sqrt{10} A(4,2)+195 \sqrt{70} A(4,4)-625 A(6,0)-125 \sqrt{105} A(6,2)-375 \sqrt{14} A(6,4)-125 \sqrt{231} A(6,6)}{8580}$	$0$	$\frac{-286 \sqrt{10} \text{Ap}(2,2)-5 \left(104 \sqrt{6} \text{Ap}(4,2)+\sqrt{7} \left(-52 \sqrt{6} \text{Ap}(4,4)+65 \text{Ap}(6,2)+20 \sqrt{30} \text{Ap}(6,4)+15 \sqrt{55} \text{Ap}(6,6)\right)\right)}{8580}$	$\frac{-572 \sqrt{15} A(2,0)+572 \sqrt{10} A(2,2)+5 \left(13 \sqrt{15} A(4,0)+26 \sqrt{6} A(4,2)-13 \sqrt{42} A(4,4)+35 \sqrt{15} A(6,0)+85 \sqrt{7} A(6,2)+5 \sqrt{210} A(6,4)-15 \sqrt{385} A(6,6)\right)}{8580}$	$0$
$f_{x\left(5z^2-r^2\right)}$	$\frac{286 \sqrt{10} \text{Ap}(2,2)+65 \sqrt{6} \text{Ap}(4,2)-200 \sqrt{7} \text{Ap}(6,2)}{2145}$	$0$	$0$	$A(0,0)+\frac{4}{15} A(2,0)+\frac{2}{429} (39 A(4,0)+50 A(6,0))$	$0$	$0$	$\frac{-286 \sqrt{10} A(2,2)-65 \sqrt{6} A(4,2)+200 \sqrt{7} A(6,2)}{2145}$
$f_{x\left(y^2-z^2\right)}$	$0$	$\frac{572 \sqrt{15} A(2,0)+572 \sqrt{10} A(2,2)-5 \left(13 \sqrt{15} A(4,0)-26 \sqrt{6} A(4,2)-13 \sqrt{42} A(4,4)+35 \sqrt{15} A(6,0)-85 \sqrt{7} A(6,2)+5 \sqrt{210} A(6,4)+15 \sqrt{385} A(6,6)\right)}{8580}$	$\frac{-286 \sqrt{10} \text{Ap}(2,2)-5 \left(104 \sqrt{6} \text{Ap}(4,2)+\sqrt{7} \left(-52 \sqrt{6} \text{Ap}(4,4)+65 \text{Ap}(6,2)+20 \sqrt{30} \text{Ap}(6,4)+15 \sqrt{55} \text{Ap}(6,6)\right)\right)}{8580}$	$0$	$\frac{1716 A(0,0)+91 A(4,0)+182 \sqrt{10} A(4,2)-39 \sqrt{70} A(4,4)-195 A(6,0)+15 \sqrt{105} A(6,2)+75 \sqrt{14} A(6,4)+15 \sqrt{231} A(6,6)}{1716}$	$\frac{286 \sqrt{6} \text{Ap}(2,2)-52 \sqrt{10} \text{Ap}(4,2)+35 \sqrt{105} \text{Ap}(6,2)-15 \sqrt{231} \text{Ap}(6,6)}{1716}$	$0$
$f_{y\left(z^2-x^2\right)}$	$0$	$\frac{286 \sqrt{10} \text{Ap}(2,2)+5 \left(104 \sqrt{6} \text{Ap}(4,2)+\sqrt{7} \left(52 \sqrt{6} \text{Ap}(4,4)+65 \text{Ap}(6,2)-20 \sqrt{30} \text{Ap}(6,4)+15 \sqrt{55} \text{Ap}(6,6)\right)\right)}{8580}$	$\frac{-572 \sqrt{15} A(2,0)+572 \sqrt{10} A(2,2)+5 \left(13 \sqrt{15} A(4,0)+26 \sqrt{6} A(4,2)-13 \sqrt{42} A(4,4)+35 \sqrt{15} A(6,0)+85 \sqrt{7} A(6,2)+5 \sqrt{210} A(6,4)-15 \sqrt{385} A(6,6)\right)}{8580}$	$0$	$\frac{286 \sqrt{6} \text{Ap}(2,2)-52 \sqrt{10} \text{Ap}(4,2)+35 \sqrt{105} \text{Ap}(6,2)-15 \sqrt{231} \text{Ap}(6,6)}{1716}$	$\frac{1716 A(0,0)+91 A(4,0)-182 \sqrt{10} A(4,2)-39 \sqrt{70} A(4,4)-195 A(6,0)-15 \sqrt{105} A(6,2)+75 \sqrt{14} A(6,4)-15 \sqrt{231} A(6,6)}{1716}$	$0$
$f_{z\left(x^2-y^2\right)}$	$-\frac{1}{429} \sqrt{14} \left(13 \sqrt{5} \text{Ap}(4,4)+30 \text{Ap}(6,4)\right)$	$0$	$0$	$\frac{-286 \sqrt{10} A(2,2)-65 \sqrt{6} A(4,2)+200 \sqrt{7} A(6,2)}{2145}$	$0$	$0$	$\frac{1}{429} \left(429 A(0,0)-91 A(4,0)+13 \sqrt{70} A(4,4)+30 A(6,0)+30 \sqrt{14} A(6,4)\right)$

Rotation matrix used

TODO

Irriducible representations and their onsite energy

TODO

Coupling between two shells

Potential for s-p orbital mixing

Input format suitable for Mathematica (Quanty.nb)

<\hidden>

Input format suitable for Quanty

Akm_Cs_Z.Quanty

Akm = {{0, 0, A(0,0)} , 
       {1,-1, (-1)*(A(1,1)) + (I)*(Ap(1,1))} , 
       {1, 1, A(1,1) + (I)*(Ap(1,1))} , 
       {2, 0, A(2,0)} , 
       {2,-2, A(2,2) + (-I)*(Ap(2,2))} , 
       {2, 2, A(2,2) + (I)*(Ap(2,2))} , 
       {3,-1, (-1)*(A(3,1)) + (I)*(Ap(3,1))} , 
       {3, 1, A(3,1) + (I)*(Ap(3,1))} , 
       {3,-3, (-1)*(A(3,3)) + (I)*(Ap(3,3))} , 
       {3, 3, A(3,3) + (I)*(Ap(3,3))} , 
       {4, 0, A(4,0)} , 
       {4,-2, A(4,2) + (-I)*(Ap(4,2))} , 
       {4, 2, A(4,2) + (I)*(Ap(4,2))} , 
       {4,-4, A(4,4) + (-I)*(Ap(4,4))} , 
       {4, 4, A(4,4) + (I)*(Ap(4,4))} , 
       {5,-1, (-1)*(A(5,1)) + (I)*(Ap(5,1))} , 
       {5, 1, A(5,1) + (I)*(Ap(5,1))} , 
       {5,-3, (-1)*(A(5,3)) + (I)*(Ap(5,3))} , 
       {5, 3, A(5,3) + (I)*(Ap(5,3))} , 
       {5,-5, (-1)*(A(5,5)) + (I)*(Ap(5,5))} , 
       {5, 5, A(5,5) + (I)*(Ap(5,5))} , 
       {6, 0, A(6,0)} , 
       {6,-2, A(6,2) + (-I)*(Ap(6,2))} , 
       {6, 2, A(6,2) + (I)*(Ap(6,2))} , 
       {6,-4, A(6,4) + (-I)*(Ap(6,4))} , 
       {6, 4, A(6,4) + (I)*(Ap(6,4))} , 
       {6,-6, A(6,6) + (-I)*(Ap(6,6))} , 
       {6, 6, A(6,6) + (I)*(Ap(6,6))} }

<\hidden>

The Hamiltonian on a basis of spherical Harmonics

	${Y_{-1}^{(1)}}$	${Y_{0}^{(1)}}$	${Y_{1}^{(1)}}$
${Y_{0}^{(0)}}$	$-\frac{A(1,1)+i \text{Ap}(1,1)}{\sqrt{3}}$	$0$	$\frac{A(1,1)-i \text{Ap}(1,1)}{\sqrt{3}}$

<\hidden>

The Hamiltonian on a basis of symmetric functions

	$p_x$	$p_y$	$p_z$
$\text{s}$	$-\sqrt{\frac{2}{3}} A(1,1)$	$\sqrt{\frac{2}{3}} \text{Ap}(1,1)$	$0$

Potential for s-d orbital mixing

Input format suitable for Mathematica (Quanty.nb)

<\hidden>

Input format suitable for Quanty

Akm_Cs_Z.Quanty

Akm = {{0, 0, A(0,0)} , 
       {1,-1, (-1)*(A(1,1)) + (I)*(Ap(1,1))} , 
       {1, 1, A(1,1) + (I)*(Ap(1,1))} , 
       {2, 0, A(2,0)} , 
       {2,-2, A(2,2) + (-I)*(Ap(2,2))} , 
       {2, 2, A(2,2) + (I)*(Ap(2,2))} , 
       {3,-1, (-1)*(A(3,1)) + (I)*(Ap(3,1))} , 
       {3, 1, A(3,1) + (I)*(Ap(3,1))} , 
       {3,-3, (-1)*(A(3,3)) + (I)*(Ap(3,3))} , 
       {3, 3, A(3,3) + (I)*(Ap(3,3))} , 
       {4, 0, A(4,0)} , 
       {4,-2, A(4,2) + (-I)*(Ap(4,2))} , 
       {4, 2, A(4,2) + (I)*(Ap(4,2))} , 
       {4,-4, A(4,4) + (-I)*(Ap(4,4))} , 
       {4, 4, A(4,4) + (I)*(Ap(4,4))} , 
       {5,-1, (-1)*(A(5,1)) + (I)*(Ap(5,1))} , 
       {5, 1, A(5,1) + (I)*(Ap(5,1))} , 
       {5,-3, (-1)*(A(5,3)) + (I)*(Ap(5,3))} , 
       {5, 3, A(5,3) + (I)*(Ap(5,3))} , 
       {5,-5, (-1)*(A(5,5)) + (I)*(Ap(5,5))} , 
       {5, 5, A(5,5) + (I)*(Ap(5,5))} , 
       {6, 0, A(6,0)} , 
       {6,-2, A(6,2) + (-I)*(Ap(6,2))} , 
       {6, 2, A(6,2) + (I)*(Ap(6,2))} , 
       {6,-4, A(6,4) + (-I)*(Ap(6,4))} , 
       {6, 4, A(6,4) + (I)*(Ap(6,4))} , 
       {6,-6, A(6,6) + (-I)*(Ap(6,6))} , 
       {6, 6, A(6,6) + (I)*(Ap(6,6))} }

<\hidden>

The Hamiltonian on a basis of spherical Harmonics

	${Y_{-2}^{(2)}}$	${Y_{-1}^{(2)}}$	${Y_{0}^{(2)}}$	${Y_{1}^{(2)}}$	${Y_{2}^{(2)}}$
${Y_{0}^{(0)}}$	$\frac{A(2,2)+i \text{Ap}(2,2)}{\sqrt{5}}$	$0$	$\frac{A(2,0)}{\sqrt{5}}$	$0$	$\frac{A(2,2)-i \text{Ap}(2,2)}{\sqrt{5}}$

<\hidden>

The Hamiltonian on a basis of symmetric functions

	$d_{x^2-y^2}$	$d_{3z^2-r^2}$	$d_{\text{yz}}$	$d_{\text{xz}}$	$d_{\text{xy}}$
$\text{s}$	$\sqrt{\frac{2}{5}} A(2,2)$	$\frac{A(2,0)}{\sqrt{5}}$	$0$	$0$	$-\sqrt{\frac{2}{5}} \text{Ap}(2,2)$

Potential for s-f orbital mixing

Input format suitable for Mathematica (Quanty.nb)

<\hidden>

Input format suitable for Quanty

Akm_Cs_Z.Quanty

Akm = {{0, 0, A(0,0)} , 
       {1,-1, (-1)*(A(1,1)) + (I)*(Ap(1,1))} , 
       {1, 1, A(1,1) + (I)*(Ap(1,1))} , 
       {2, 0, A(2,0)} , 
       {2,-2, A(2,2) + (-I)*(Ap(2,2))} , 
       {2, 2, A(2,2) + (I)*(Ap(2,2))} , 
       {3,-1, (-1)*(A(3,1)) + (I)*(Ap(3,1))} , 
       {3, 1, A(3,1) + (I)*(Ap(3,1))} , 
       {3,-3, (-1)*(A(3,3)) + (I)*(Ap(3,3))} , 
       {3, 3, A(3,3) + (I)*(Ap(3,3))} , 
       {4, 0, A(4,0)} , 
       {4,-2, A(4,2) + (-I)*(Ap(4,2))} , 
       {4, 2, A(4,2) + (I)*(Ap(4,2))} , 
       {4,-4, A(4,4) + (-I)*(Ap(4,4))} , 
       {4, 4, A(4,4) + (I)*(Ap(4,4))} , 
       {5,-1, (-1)*(A(5,1)) + (I)*(Ap(5,1))} , 
       {5, 1, A(5,1) + (I)*(Ap(5,1))} , 
       {5,-3, (-1)*(A(5,3)) + (I)*(Ap(5,3))} , 
       {5, 3, A(5,3) + (I)*(Ap(5,3))} , 
       {5,-5, (-1)*(A(5,5)) + (I)*(Ap(5,5))} , 
       {5, 5, A(5,5) + (I)*(Ap(5,5))} , 
       {6, 0, A(6,0)} , 
       {6,-2, A(6,2) + (-I)*(Ap(6,2))} , 
       {6, 2, A(6,2) + (I)*(Ap(6,2))} , 
       {6,-4, A(6,4) + (-I)*(Ap(6,4))} , 
       {6, 4, A(6,4) + (I)*(Ap(6,4))} , 
       {6,-6, A(6,6) + (-I)*(Ap(6,6))} , 
       {6, 6, A(6,6) + (I)*(Ap(6,6))} }

<\hidden>

The Hamiltonian on a basis of spherical Harmonics

	${Y_{-3}^{(3)}}$	${Y_{-2}^{(3)}}$	${Y_{-1}^{(3)}}$	${Y_{0}^{(3)}}$	${Y_{1}^{(3)}}$	${Y_{2}^{(3)}}$	${Y_{3}^{(3)}}$
${Y_{0}^{(0)}}$	$-\frac{A(3,3)+i \text{Ap}(3,3)}{\sqrt{7}}$	$0$	$-\frac{A(3,1)+i \text{Ap}(3,1)}{\sqrt{7}}$	$0$	$\frac{A(3,1)-i \text{Ap}(3,1)}{\sqrt{7}}$	$0$	$\frac{A(3,3)-i \text{Ap}(3,3)}{\sqrt{7}}$

<\hidden>

The Hamiltonian on a basis of symmetric functions

	$f_{\text{xyz}}$	$f_{x\left(5x^2-r^2\right)}$	$f_{y\left(5y^2-r^2\right)}$	$f_{x\left(5z^2-r^2\right)}$	$f_{x\left(y^2-z^2\right)}$	$f_{y\left(z^2-x^2\right)}$	$f_{z\left(x^2-y^2\right)}$
$\text{s}$	$0$	$\frac{1}{14} \left(\sqrt{21} A(3,1)-\sqrt{35} A(3,3)\right)$	$-\frac{\sqrt{3} \text{Ap}(3,1)+\sqrt{5} \text{Ap}(3,3)}{2 \sqrt{7}}$	$0$	$\frac{\sqrt{5} A(3,1)+\sqrt{3} A(3,3)}{2 \sqrt{7}}$	$\frac{1}{14} \left(\sqrt{35} \text{Ap}(3,1)-\sqrt{21} \text{Ap}(3,3)\right)$	$0$

Potential for p-d orbital mixing

Input format suitable for Mathematica (Quanty.nb)

<\hidden>

Input format suitable for Quanty

Akm_Cs_Z.Quanty

Akm = {{0, 0, A(0,0)} , 
       {1,-1, (-1)*(A(1,1)) + (I)*(Ap(1,1))} , 
       {1, 1, A(1,1) + (I)*(Ap(1,1))} , 
       {2, 0, A(2,0)} , 
       {2,-2, A(2,2) + (-I)*(Ap(2,2))} , 
       {2, 2, A(2,2) + (I)*(Ap(2,2))} , 
       {3,-1, (-1)*(A(3,1)) + (I)*(Ap(3,1))} , 
       {3, 1, A(3,1) + (I)*(Ap(3,1))} , 
       {3,-3, (-1)*(A(3,3)) + (I)*(Ap(3,3))} , 
       {3, 3, A(3,3) + (I)*(Ap(3,3))} , 
       {4, 0, A(4,0)} , 
       {4,-2, A(4,2) + (-I)*(Ap(4,2))} , 
       {4, 2, A(4,2) + (I)*(Ap(4,2))} , 
       {4,-4, A(4,4) + (-I)*(Ap(4,4))} , 
       {4, 4, A(4,4) + (I)*(Ap(4,4))} , 
       {5,-1, (-1)*(A(5,1)) + (I)*(Ap(5,1))} , 
       {5, 1, A(5,1) + (I)*(Ap(5,1))} , 
       {5,-3, (-1)*(A(5,3)) + (I)*(Ap(5,3))} , 
       {5, 3, A(5,3) + (I)*(Ap(5,3))} , 
       {5,-5, (-1)*(A(5,5)) + (I)*(Ap(5,5))} , 
       {5, 5, A(5,5) + (I)*(Ap(5,5))} , 
       {6, 0, A(6,0)} , 
       {6,-2, A(6,2) + (-I)*(Ap(6,2))} , 
       {6, 2, A(6,2) + (I)*(Ap(6,2))} , 
       {6,-4, A(6,4) + (-I)*(Ap(6,4))} , 
       {6, 4, A(6,4) + (I)*(Ap(6,4))} , 
       {6,-6, A(6,6) + (-I)*(Ap(6,6))} , 
       {6, 6, A(6,6) + (I)*(Ap(6,6))} }

<\hidden>

The Hamiltonian on a basis of spherical Harmonics

	${Y_{-2}^{(2)}}$	${Y_{-1}^{(2)}}$	${Y_{0}^{(2)}}$	${Y_{1}^{(2)}}$	${Y_{2}^{(2)}}$
${Y_{-1}^{(1)}}$	$\frac{1}{7} \sqrt{\frac{3}{5}} (A(3,1)+i \text{Ap}(3,1))-\sqrt{\frac{2}{5}} (A(1,1)+i \text{Ap}(1,1))$	$0$	$\frac{1}{105} \left(7 \sqrt{15} (A(1,1)-i \text{Ap}(1,1))-9 \sqrt{10} (A(3,1)-i \text{Ap}(3,1))\right)$	$0$	$-\frac{3}{7} (A(3,3)-i \text{Ap}(3,3))$
${Y_{0}^{(1)}}$	$0$	$-\frac{A(1,1)+i \text{Ap}(1,1)}{\sqrt{5}}-\frac{2}{7} \sqrt{\frac{6}{5}} (A(3,1)+i \text{Ap}(3,1))$	$0$	$\frac{7 A(1,1)+2 \sqrt{6} A(3,1)-i \left(7 \text{Ap}(1,1)+2 \sqrt{6} \text{Ap}(3,1)\right)}{7 \sqrt{5}}$	$0$
${Y_{1}^{(1)}}$	$\frac{3}{7} (A(3,3)+i \text{Ap}(3,3))$	$0$	$\frac{3}{7} \sqrt{\frac{2}{5}} (A(3,1)+i \text{Ap}(3,1))-\frac{A(1,1)+i \text{Ap}(1,1)}{\sqrt{15}}$	$0$	$\sqrt{\frac{2}{5}} (A(1,1)-i \text{Ap}(1,1))-\frac{1}{7} \sqrt{\frac{3}{5}} (A(3,1)-i \text{Ap}(3,1))$

<\hidden>

The Hamiltonian on a basis of symmetric functions

	$d_{x^2-y^2}$	$d_{3z^2-r^2}$	$d_{\text{yz}}$	$d_{\text{xz}}$	$d_{\text{xy}}$
$p_x$	$\frac{1}{35} \left(-7 \sqrt{10} A(1,1)+\sqrt{15} A(3,1)-15 A(3,3)\right)$	$\sqrt{\frac{2}{15}} A(1,1)-\frac{6 A(3,1)}{7 \sqrt{5}}$	$0$	$0$	$\sqrt{\frac{2}{5}} \text{Ap}(1,1)-\frac{1}{7} \sqrt{\frac{3}{5}} \text{Ap}(3,1)+\frac{3}{7} \text{Ap}(3,3)$
$p_y$	$\frac{1}{35} \left(-7 \sqrt{10} \text{Ap}(1,1)+\sqrt{15} \text{Ap}(3,1)+15 \text{Ap}(3,3)\right)$	$\frac{6 \text{Ap}(3,1)}{7 \sqrt{5}}-\sqrt{\frac{2}{15}} \text{Ap}(1,1)$	$0$	$0$	$\frac{1}{35} \left(-7 \sqrt{10} A(1,1)+\sqrt{15} A(3,1)+15 A(3,3)\right)$
$p_z$	$0$	$0$	$\sqrt{\frac{2}{5}} \text{Ap}(1,1)+\frac{4}{7} \sqrt{\frac{3}{5}} \text{Ap}(3,1)$	$-\frac{1}{7} \sqrt{\frac{2}{5}} \left(7 A(1,1)+2 \sqrt{6} A(3,1)\right)$	$0$

Potential for p-f orbital mixing

Input format suitable for Mathematica (Quanty.nb)

<\hidden>

Input format suitable for Quanty

Akm_Cs_Z.Quanty

Akm = {{0, 0, A(0,0)} , 
       {1,-1, (-1)*(A(1,1)) + (I)*(Ap(1,1))} , 
       {1, 1, A(1,1) + (I)*(Ap(1,1))} , 
       {2, 0, A(2,0)} , 
       {2,-2, A(2,2) + (-I)*(Ap(2,2))} , 
       {2, 2, A(2,2) + (I)*(Ap(2,2))} , 
       {3,-1, (-1)*(A(3,1)) + (I)*(Ap(3,1))} , 
       {3, 1, A(3,1) + (I)*(Ap(3,1))} , 
       {3,-3, (-1)*(A(3,3)) + (I)*(Ap(3,3))} , 
       {3, 3, A(3,3) + (I)*(Ap(3,3))} , 
       {4, 0, A(4,0)} , 
       {4,-2, A(4,2) + (-I)*(Ap(4,2))} , 
       {4, 2, A(4,2) + (I)*(Ap(4,2))} , 
       {4,-4, A(4,4) + (-I)*(Ap(4,4))} , 
       {4, 4, A(4,4) + (I)*(Ap(4,4))} , 
       {5,-1, (-1)*(A(5,1)) + (I)*(Ap(5,1))} , 
       {5, 1, A(5,1) + (I)*(Ap(5,1))} , 
       {5,-3, (-1)*(A(5,3)) + (I)*(Ap(5,3))} , 
       {5, 3, A(5,3) + (I)*(Ap(5,3))} , 
       {5,-5, (-1)*(A(5,5)) + (I)*(Ap(5,5))} , 
       {5, 5, A(5,5) + (I)*(Ap(5,5))} , 
       {6, 0, A(6,0)} , 
       {6,-2, A(6,2) + (-I)*(Ap(6,2))} , 
       {6, 2, A(6,2) + (I)*(Ap(6,2))} , 
       {6,-4, A(6,4) + (-I)*(Ap(6,4))} , 
       {6, 4, A(6,4) + (I)*(Ap(6,4))} , 
       {6,-6, A(6,6) + (-I)*(Ap(6,6))} , 
       {6, 6, A(6,6) + (I)*(Ap(6,6))} }

<\hidden>

The Hamiltonian on a basis of spherical Harmonics

	${Y_{-3}^{(3)}}$	${Y_{-2}^{(3)}}$	${Y_{-1}^{(3)}}$	${Y_{0}^{(3)}}$	${Y_{1}^{(3)}}$	${Y_{2}^{(3)}}$	${Y_{3}^{(3)}}$
${Y_{-1}^{(1)}}$	$\frac{3 (A(2,2)+i \text{Ap}(2,2))}{\sqrt{35}}-\frac{A(4,2)+i \text{Ap}(4,2)}{3 \sqrt{21}}$	$0$	$\frac{1}{15} \sqrt{\frac{2}{7}} (9 A(2,0)-5 A(4,0))$	$0$	$\frac{1}{5} \sqrt{\frac{3}{7}} (A(2,2)-i \text{Ap}(2,2))-\frac{1}{3} \sqrt{\frac{5}{7}} (A(4,2)-i \text{Ap}(4,2))$	$0$	$-\frac{2 (A(4,4)-i \text{Ap}(4,4))}{3 \sqrt{3}}$
${Y_{0}^{(1)}}$	$0$	$\sqrt{\frac{3}{35}} (A(2,2)+i \text{Ap}(2,2))+\frac{2 (A(4,2)+i \text{Ap}(4,2))}{3 \sqrt{7}}$	$0$	$\frac{27 A(2,0)+20 A(4,0)}{15 \sqrt{21}}$	$0$	$\sqrt{\frac{3}{35}} (A(2,2)-i \text{Ap}(2,2))+\frac{2 (A(4,2)-i \text{Ap}(4,2))}{3 \sqrt{7}}$	$0$
${Y_{1}^{(1)}}$	$-\frac{2 (A(4,4)+i \text{Ap}(4,4))}{3 \sqrt{3}}$	$0$	$\frac{1}{5} \sqrt{\frac{3}{7}} (A(2,2)+i \text{Ap}(2,2))-\frac{1}{3} \sqrt{\frac{5}{7}} (A(4,2)+i \text{Ap}(4,2))$	$0$	$\frac{1}{15} \sqrt{\frac{2}{7}} (9 A(2,0)-5 A(4,0))$	$0$	$\frac{3 (A(2,2)-i \text{Ap}(2,2))}{\sqrt{35}}-\frac{A(4,2)-i \text{Ap}(4,2)}{3 \sqrt{21}}$

<\hidden>

The Hamiltonian on a basis of symmetric functions

	$f_{\text{xyz}}$	$f_{x\left(5x^2-r^2\right)}$	$f_{y\left(5y^2-r^2\right)}$	$f_{x\left(5z^2-r^2\right)}$	$f_{x\left(y^2-z^2\right)}$	$f_{y\left(z^2-x^2\right)}$	$f_{z\left(x^2-y^2\right)}$
$p_x$	$0$	$\frac{1}{630} \left(-27 \sqrt{21} A(2,0)+81 \sqrt{14} A(2,2)+5 \left(3 \sqrt{21} A(4,0)-2 \sqrt{210} A(4,2)+7 \sqrt{30} A(4,4)\right)\right)$	$\frac{1}{630} \left(54 \sqrt{14} \text{Ap}(2,2)+5 \sqrt{30} \left(\sqrt{7} \text{Ap}(4,2)+7 \text{Ap}(4,4)\right)\right)$	$0$	$\frac{1}{210} \left(-9 \sqrt{35} A(2,0)-3 \sqrt{210} A(2,2)+5 \left(\sqrt{35} A(4,0)-2 \sqrt{14} A(4,2)-7 \sqrt{2} A(4,4)\right)\right)$	$\sqrt{\frac{6}{35}} \text{Ap}(2,2)-\frac{\text{Ap}(4,2)}{\sqrt{14}}+\frac{\text{Ap}(4,4)}{3 \sqrt{2}}$	$0$
$p_y$	$0$	$\frac{1}{630} \left(54 \sqrt{14} \text{Ap}(2,2)+5 \sqrt{30} \left(\sqrt{7} \text{Ap}(4,2)-7 \text{Ap}(4,4)\right)\right)$	$\frac{1}{630} \left(-27 \sqrt{21} A(2,0)-81 \sqrt{14} A(2,2)+5 \left(3 \sqrt{21} A(4,0)+2 \sqrt{210} A(4,2)+7 \sqrt{30} A(4,4)\right)\right)$	$0$	$-\sqrt{\frac{6}{35}} \text{Ap}(2,2)+\frac{\text{Ap}(4,2)}{\sqrt{14}}+\frac{\text{Ap}(4,4)}{3 \sqrt{2}}$	$\frac{1}{210} \left(9 \sqrt{35} A(2,0)-3 \sqrt{210} A(2,2)-5 \left(\sqrt{35} A(4,0)+2 \sqrt{14} A(4,2)-7 \sqrt{2} A(4,4)\right)\right)$	$0$
$p_z$	$-\sqrt{\frac{6}{35}} \text{Ap}(2,2)-\frac{2}{3} \sqrt{\frac{2}{7}} \text{Ap}(4,2)$	$0$	$0$	$\frac{27 A(2,0)+20 A(4,0)}{15 \sqrt{21}}$	$0$	$0$	$\sqrt{\frac{6}{35}} A(2,2)+\frac{2}{3} \sqrt{\frac{2}{7}} A(4,2)$

Potential for d-f orbital mixing

Input format suitable for Mathematica (Quanty.nb)

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Input format suitable for Quanty

Akm_Cs_Z.Quanty

Akm = {{0, 0, A(0,0)} , 
       {1,-1, (-1)*(A(1,1)) + (I)*(Ap(1,1))} , 
       {1, 1, A(1,1) + (I)*(Ap(1,1))} , 
       {2, 0, A(2,0)} , 
       {2,-2, A(2,2) + (-I)*(Ap(2,2))} , 
       {2, 2, A(2,2) + (I)*(Ap(2,2))} , 
       {3,-1, (-1)*(A(3,1)) + (I)*(Ap(3,1))} , 
       {3, 1, A(3,1) + (I)*(Ap(3,1))} , 
       {3,-3, (-1)*(A(3,3)) + (I)*(Ap(3,3))} , 
       {3, 3, A(3,3) + (I)*(Ap(3,3))} , 
       {4, 0, A(4,0)} , 
       {4,-2, A(4,2) + (-I)*(Ap(4,2))} , 
       {4, 2, A(4,2) + (I)*(Ap(4,2))} , 
       {4,-4, A(4,4) + (-I)*(Ap(4,4))} , 
       {4, 4, A(4,4) + (I)*(Ap(4,4))} , 
       {5,-1, (-1)*(A(5,1)) + (I)*(Ap(5,1))} , 
       {5, 1, A(5,1) + (I)*(Ap(5,1))} , 
       {5,-3, (-1)*(A(5,3)) + (I)*(Ap(5,3))} , 
       {5, 3, A(5,3) + (I)*(Ap(5,3))} , 
       {5,-5, (-1)*(A(5,5)) + (I)*(Ap(5,5))} , 
       {5, 5, A(5,5) + (I)*(Ap(5,5))} , 
       {6, 0, A(6,0)} , 
       {6,-2, A(6,2) + (-I)*(Ap(6,2))} , 
       {6, 2, A(6,2) + (I)*(Ap(6,2))} , 
       {6,-4, A(6,4) + (-I)*(Ap(6,4))} , 
       {6, 4, A(6,4) + (I)*(Ap(6,4))} , 
       {6,-6, A(6,6) + (-I)*(Ap(6,6))} , 
       {6, 6, A(6,6) + (I)*(Ap(6,6))} }

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The Hamiltonian on a basis of spherical Harmonics

	${Y_{-3}^{(3)}}$	${Y_{-2}^{(3)}}$	${Y_{-1}^{(3)}}$	${Y_{0}^{(3)}}$	${Y_{1}^{(3)}}$	${Y_{2}^{(3)}}$	${Y_{3}^{(3)}}$
${Y_{-2}^{(2)}}$	$-\sqrt{\frac{3}{7}} (A(1,1)+i \text{Ap}(1,1))+\frac{1}{3} \sqrt{\frac{2}{7}} (A(3,1)+i \text{Ap}(3,1))-\frac{1}{33} \sqrt{\frac{5}{7}} (A(5,1)+i \text{Ap}(5,1))$	$0$	$\frac{33 \sqrt{35} (A(1,1)-i \text{Ap}(1,1))-22 \sqrt{210} (A(3,1)-i \text{Ap}(3,1))+25 \sqrt{21} (A(5,1)-i \text{Ap}(5,1))}{1155}$	$0$	$\frac{5}{33} \sqrt{2} (A(5,3)-i \text{Ap}(5,3))-\frac{1}{3} \sqrt{\frac{2}{7}} (A(3,3)-i \text{Ap}(3,3))$	$0$	$\frac{5}{11} \sqrt{\frac{2}{3}} (A(5,5)-i \text{Ap}(5,5))$
${Y_{-1}^{(2)}}$	$0$	$-\sqrt{\frac{2}{7}} (A(1,1)+i \text{Ap}(1,1))-\frac{A(3,1)+i \text{Ap}(3,1)}{\sqrt{21}}+\frac{2}{11} \sqrt{\frac{10}{21}} (A(5,1)+i \text{Ap}(5,1))$	$0$	$\frac{33 \sqrt{105} (A(1,1)-i \text{Ap}(1,1))-11 \sqrt{70} (A(3,1)-i \text{Ap}(3,1))-100 \sqrt{7} (A(5,1)-i \text{Ap}(5,1))}{1155}$	$0$	$-\frac{1}{3} \sqrt{\frac{5}{7}} (A(3,3)-i \text{Ap}(3,3))-\frac{4}{33} \sqrt{5} (A(5,3)-i \text{Ap}(5,3))$	$0$
${Y_{0}^{(2)}}$	$\frac{1}{3} \sqrt{\frac{5}{7}} (A(3,3)+i \text{Ap}(3,3))-\frac{2}{33} \sqrt{5} (A(5,3)+i \text{Ap}(5,3))$	$0$	$-\sqrt{\frac{6}{35}} (A(1,1)+i \text{Ap}(1,1))-\frac{A(3,1)+i \text{Ap}(3,1)}{\sqrt{35}}-\frac{5}{11} \sqrt{\frac{2}{7}} (A(5,1)+i \text{Ap}(5,1))$	$0$	$\frac{1}{385} \left(11 \sqrt{210} (A(1,1)-i \text{Ap}(1,1))+11 \sqrt{35} (A(3,1)-i \text{Ap}(3,1))+25 \sqrt{14} (A(5,1)-i \text{Ap}(5,1))\right)$	$0$	$\frac{2}{33} \sqrt{5} (A(5,3)-i \text{Ap}(5,3))-\frac{1}{3} \sqrt{\frac{5}{7}} (A(3,3)-i \text{Ap}(3,3))$
${Y_{1}^{(2)}}$	$0$	$\frac{1}{3} \sqrt{\frac{5}{7}} (A(3,3)+i \text{Ap}(3,3))+\frac{4}{33} \sqrt{5} (A(5,3)+i \text{Ap}(5,3))$	$0$	$-\sqrt{\frac{3}{35}} (A(1,1)+i \text{Ap}(1,1))+\frac{1}{3} \sqrt{\frac{2}{35}} (A(3,1)+i \text{Ap}(3,1))+\frac{20 (A(5,1)+i \text{Ap}(5,1))}{33 \sqrt{7}}$	$0$	$\frac{1}{231} \left(33 \sqrt{14} (A(1,1)-i \text{Ap}(1,1))+11 \sqrt{21} (A(3,1)-i \text{Ap}(3,1))-2 \sqrt{210} (A(5,1)-i \text{Ap}(5,1))\right)$	$0$
${Y_{2}^{(2)}}$	$-\frac{5}{11} \sqrt{\frac{2}{3}} (A(5,5)+i \text{Ap}(5,5))$	$0$	$\frac{1}{3} \sqrt{\frac{2}{7}} (A(3,3)+i \text{Ap}(3,3))-\frac{5}{33} \sqrt{2} (A(5,3)+i \text{Ap}(5,3))$	$0$	$-\frac{A(1,1)+i \text{Ap}(1,1)}{\sqrt{35}}+2 \sqrt{\frac{2}{105}} (A(3,1)+i \text{Ap}(3,1))-\frac{5 (A(5,1)+i \text{Ap}(5,1))}{11 \sqrt{21}}$	$0$	$\sqrt{\frac{3}{7}} (A(1,1)-i \text{Ap}(1,1))-\frac{1}{3} \sqrt{\frac{2}{7}} (A(3,1)-i \text{Ap}(3,1))+\frac{1}{33} \sqrt{\frac{5}{7}} (A(5,1)-i \text{Ap}(5,1))$

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The Hamiltonian on a basis of symmetric functions

	$f_{\text{xyz}}$	$f_{x\left(5x^2-r^2\right)}$	$f_{y\left(5y^2-r^2\right)}$	$f_{x\left(5z^2-r^2\right)}$	$f_{x\left(y^2-z^2\right)}$	$f_{y\left(z^2-x^2\right)}$	$f_{z\left(x^2-y^2\right)}$
$d_{x^2-y^2}$	$0$	$\frac{-99 \sqrt{210} A(1,1)+121 \sqrt{35} A(3,1)-5 \left(11 \sqrt{21} A(3,3)+10 \sqrt{14} A(5,1)-35 \sqrt{3} A(5,3)+35 \sqrt{15} A(5,5)\right)}{2310}$	$\frac{-99 \sqrt{210} \text{Ap}(1,1)+121 \sqrt{35} \text{Ap}(3,1)+55 \sqrt{21} \text{Ap}(3,3)-50 \sqrt{14} \text{Ap}(5,1)-175 \sqrt{3} \text{Ap}(5,3)-175 \sqrt{15} \text{Ap}(5,5)}{2310}$	$0$	$\frac{1}{462} \left(33 \sqrt{14} A(1,1)+11 \sqrt{21} A(3,1)-11 \sqrt{35} A(3,3)-2 \sqrt{210} A(5,1)+35 \sqrt{5} A(5,3)+105 A(5,5)\right)$	$\frac{1}{462} \left(-33 \sqrt{14} \text{Ap}(1,1)-11 \sqrt{21} \text{Ap}(3,1)-11 \sqrt{35} \text{Ap}(3,3)+2 \sqrt{210} \text{Ap}(5,1)+35 \sqrt{5} \text{Ap}(5,3)-105 \text{Ap}(5,5)\right)$	$0$
$d_{3z^2-r^2}$	$0$	$\frac{99 \sqrt{70} A(1,1)+33 \sqrt{105} A(3,1)+275 \sqrt{7} A(3,3)+75 \sqrt{42} A(5,1)-350 A(5,3)}{2310}$	$\frac{-99 \sqrt{70} \text{Ap}(1,1)-33 \sqrt{105} \text{Ap}(3,1)+275 \sqrt{7} \text{Ap}(3,3)-75 \sqrt{42} \text{Ap}(5,1)-350 \text{Ap}(5,3)}{2310}$	$0$	$\frac{1}{462} \left(33 \sqrt{42} A(1,1)+33 \sqrt{7} A(3,1)-11 \sqrt{105} A(3,3)+15 \sqrt{70} A(5,1)+14 \sqrt{15} A(5,3)\right)$	$\frac{1}{462} \left(33 \sqrt{42} \text{Ap}(1,1)+33 \sqrt{7} \text{Ap}(3,1)+11 \sqrt{105} \text{Ap}(3,3)+15 \sqrt{70} \text{Ap}(5,1)-14 \sqrt{15} \text{Ap}(5,3)\right)$	$0$
$d_{\text{yz}}$	$\frac{1}{231} \left(-33 \sqrt{14} A(1,1)-11 \sqrt{21} A(3,1)+\sqrt{5} \left(11 \sqrt{7} A(3,3)+2 \sqrt{42} A(5,1)+28 A(5,3)\right)\right)$	$0$	$0$	$-\sqrt{\frac{6}{35}} \text{Ap}(1,1)+\frac{2 \text{Ap}(3,1)}{3 \sqrt{35}}+\frac{20}{33} \sqrt{\frac{2}{7}} \text{Ap}(5,1)$	$0$	$0$	$\frac{1}{231} \left(-33 \sqrt{14} \text{Ap}(1,1)-11 \sqrt{21} \text{Ap}(3,1)+\sqrt{5} \left(11 \sqrt{7} \text{Ap}(3,3)+2 \sqrt{42} \text{Ap}(5,1)+28 \text{Ap}(5,3)\right)\right)$
$d_{\text{xz}}$	$\frac{1}{231} \left(33 \sqrt{14} \text{Ap}(1,1)+11 \sqrt{21} \text{Ap}(3,1)+\sqrt{5} \left(11 \sqrt{7} \text{Ap}(3,3)-2 \sqrt{42} \text{Ap}(5,1)+28 \text{Ap}(5,3)\right)\right)$	$0$	$0$	$\sqrt{\frac{6}{35}} A(1,1)-\frac{2 A(3,1)}{3 \sqrt{35}}-\frac{20}{33} \sqrt{\frac{2}{7}} A(5,1)$	$0$	$0$	$\frac{1}{231} \left(-33 \sqrt{14} A(1,1)-11 \sqrt{21} A(3,1)+\sqrt{5} \left(-11 \sqrt{7} A(3,3)+2 \sqrt{42} A(5,1)-28 A(5,3)\right)\right)$
$d_{\text{xy}}$	$0$	$\frac{-66 \sqrt{210} \text{Ap}(1,1)-11 \sqrt{35} \text{Ap}(3,1)+5 \left(11 \sqrt{21} \text{Ap}(3,3)+5 \sqrt{14} \text{Ap}(5,1)-35 \sqrt{3} \text{Ap}(5,3)+35 \sqrt{15} \text{Ap}(5,5)\right)}{2310}$	$\frac{66 \sqrt{210} A(1,1)+11 \sqrt{35} A(3,1)+5 \left(11 \sqrt{21} A(3,3)-5 \sqrt{14} A(5,1)-35 \sqrt{3} A(5,3)-35 \sqrt{15} A(5,5)\right)}{2310}$	$0$	$\frac{1}{462} \left(66 \sqrt{14} \text{Ap}(1,1)-33 \sqrt{21} \text{Ap}(3,1)+11 \sqrt{35} \text{Ap}(3,3)+3 \sqrt{210} \text{Ap}(5,1)-35 \sqrt{5} \text{Ap}(5,3)-105 \text{Ap}(5,5)\right)$	$\frac{1}{462} \left(66 \sqrt{14} A(1,1)-33 \sqrt{21} A(3,1)-11 \sqrt{35} A(3,3)+3 \sqrt{210} A(5,1)+35 \sqrt{5} A(5,3)-105 A(5,5)\right)$	$0$

Table of several point groups

Return to Main page on Point Groups

Nonaxial groups	C₁	C_s	C_i
C_n groups	C₂	C₃	C₄	C₅	C₆	C₇	C₈
D_n groups	D₂	D₃	D₄	D₅	D₆	D₇	D₈
C_nv groups	C_2v	C_3v	C_4v	C_5v	C_6v	C_7v	C_8v
C_nh groups	C_2h	C_3h	C_4h	C_5h	C_6h
D_nh groups	D_2h	D_3h	D_4h	D_5h	D_6h	D_7h	D_8h
D_nd groups	D_2d	D_3d	D_4d	D_5d	D_6d	D_7d	D_8d
S_n groups	S₂	S₄	S₆	S₈	S₁₀	S₁₂
Cubic groups	T	T_h	T_d	O	O_h	I	I_h
Linear groups	C_{$\infty$ v}	D_{$\infty$ h}

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Orientation Z

Symmetry Operations

Different Settings

Character Table

Product Table

Sub Groups with compatible settings

Super Groups with compatible settings

Invariant Potential expanded on renormalized spherical Harmonics

Input format suitable for Mathematica (Quanty.nb)

Input format suitable for Quanty

One particle coupling on a basis of spherical harmonics

Rotation matrix to symmetry adapted functions (choice is not unique)

One particle coupling on a basis of symmetry adapted functions

Coupling for a single shell

Potential for s orbitals

Potential for p orbitals

Potential for d orbitals

Potential for f orbitals

Coupling between two shells

Potential for s-p orbital mixing

Potential for s-d orbital mixing

Potential for s-f orbital mixing

Potential for p-d orbital mixing

Potential for p-f orbital mixing

Potential for d-f orbital mixing

Table of several point groups

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