====== DeterminantString ======
###
DeterminantString(//NF//,//Inds1//) creates a string of length //NF// and sets all characters to '0', except for those indices included in //Inds1// etc, which it sets to '1'. This automatizes the input of functions like //[[documentation:language_reference:functions:NewWavefunction|NewWavefunction()]]// or //[[documentation:language_reference:functions:Eigensystem|Eigensystem()]]//.
###
===== Input =====
* //NF// : The number of fermionic states (and hence the length of the resulting string).
* //Inds1//,... : One (release version) or several (upcoming versions) lists of indices.
===== Output =====
* //Det// : A string that can be used as determinant input for wavefunctions, restrictions, or the like.
===== Example =====
###
A small example:
###
==== Input ====
orbitals = {"H_1s","Fe_2s","Fe_2p","Fe_3s","Fe_3d"}
groupings = { {"H_states", {"H_1s"} }, {"Fe_states", {"Fe_2s","Fe_2p","Fe_3s","Fe_3d"}} }
Ind, NF = CreateAtomicIndicesDict(orbitals,groupings)
print("\nDeterminantString({0,1,2,3},NF):" )
print(DeterminantString(NF, {0,1,2,3}) )
print("\nDeterminantString(NF, Ind[\"Fe_2p\"]):")
print(DeterminantString(NF, Ind["Fe_2p"]) )
print("\nDeterminantString(NF, Ind[\"H_states\"]):")
print(DeterminantString(NF, Ind["H_states"]) )
print("\nDeterminantString(NF, Ind[\"Fe_states\"]):")
print(DeterminantString(NF, Ind["Fe_states"]) )
--Upcoming Version:
print("\nDeterminantString(NF, Ind[\"H_1s\"], Ind[\"Fe_2p\"], Ind[\"Fe_3d\"]):" )
print(DeterminantString(NF, Ind["H_1s"], Ind["Fe_2p"], Ind["Fe_3d"]) )
psi = NewWavefunction(NF,0,{{DeterminantString(NF, Ind["Fe_3d"]) , 1}})
print(psi)
==== Result ====
DeterminantString({0,1,2,3},NF):
1111000000000000000000
DeterminantString(NF, Ind["Fe_2p"]):
0000111111000000000000
DeterminantString(NF, Ind["H_states"]):
1100000000000000000000
DeterminantString(NF, Ind["Fe_states"]):
0011111111111111111111
DeterminantString(NF, Ind["H_1s"], Ind["Fe_2p"], Ind["Fe_3d"]):
1100111111001111111111
WaveFunction: Wave Function
QComplex = 0 (Real==0 or Complex==1)
N = 1 (Number of basis functions used to discribe psi)
NFermionic modes = 22 (Number of fermions in the one particle basis)
NBosonic modes = 0 (Number of bosons in the one particle basis)
# pre-factor Determinant
1 1.000000000000E+00 0000000000001111111111
===== Table of contents =====
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