# Differences

This shows you the differences between two versions of the page.

— |
documentation:basics:wave_functions [2016/10/10 09:40] (current) |
||
---|---|---|---|

Line 1: | Line 1: | ||

+ | {{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|]] |