Functions§
- calc_
unweighted_ codensity_ matrix - Calculates the unweighted codensity matrix between two Löwdin-paired spin-orbitals $
i$ in determinants $^{w}\Psi$ and $^{x}\Psi$. - calc_
weighted_ codensity_ matrix - Calculates the weighted codensity matrix between a set of Löwdin-paired spin-orbitals in
determinants $
^{w}\Psi$ and $^{x}\Psi$.