Strategies for setting up an algorithm

An efficient implementation of these rules requires

  • to find the number of single-particle state substitutions between two determinants
  • to find which single-particle states are involved in the substitution
  • to compute the phase factor if a reordering of the single-particle states has occured
We can solve this problem using our odometric approach or alternatively using a bit representation as discussed below and in more detail in We recommend in particular the article by Simen Kvaal. It contains nice general classes for creation and annihilation operators as well as the calculation of the phase (see below).