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documentation:basics:wave_functions [2016/10/06 20:35] – created Maurits W. Haverkortdocumentation:basics:wave_functions [2016/10/10 09:40] (current) – external edit 127.0.0.1
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 +{{indexmenu_n>3}}
 +====== Wave functions ======
  
 +###
 +Wave-functions can be created from a string containing 1's (occupied) and 0's (unoccupied). For each Fermionic spin-orbital on has one bit. For Bosonic modes Quanty reserves 8 bit, i.e. Bosons can have an occupation from 0 to 255. A wave-function resembling a single electron in a $p_x$ orbital with spin-up could be created by defining 6 spin-orbitals, creating two lists of length 3 for spin-up and spin-down and by creating a wave function that is a linear combination of $m_l=1$ and $m_l=-1$.
 +<code Quanty Example.Quanty>
 +-- a number of Fermionic modes or spin-orbitals
 +NF=6
 +-- a number of Bosonic modes (phonon modes, ...)
 +NB=0
 +
 +-- For a p-shell we would like the have 6 
 +-- spinorbitals with the quantum numbers 
 +-- spin down ml=-1,ml=0,ml=1 and
 +-- spin up with ml=-1, ml=0, ml=1
 +-- We can group different spin-orbitals into 
 +-- lists and assign meaning to them
 +IndexDn={0,2,4}
 +IndexUp={1,3,5}
 +-- the code knows that a 3 fold degenerate shell 
 +-- has l=1 and ml=-1, 0 and 1 are
 +-- assigned to them automatically
 +
 +-- the wave-function with one electron in the 
 +-- px orbital with spin down is created as
 +psipx = NewWavefunction(NF, NB, {{"100000",math.sqrt(1/2)}, {"000010",math.sqrt(1/2)}})
 +</code>
 +###
 +
 +
 +===== Index =====
 +  - [[documentation:basics:basis|]]
 +  - [[documentation:basics:operators|]]
 +  - Wavefunctions
 +  - [[documentation:basics:expectation_values|]]
 +  - [[documentation:basics:eigen_states|]]
 +  - [[documentation:basics:spectra|]]
 +  - [[documentation:basics:resonant_spectra|]]
 +  - [[documentation:basics:fluorescence_yield|]]

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