Function uw12::four_el::get_energy_spin_factor

• Defined in File four_electron_utils.hpp

Function Documentation

double uw12::four_el::get_energy_spin_factor(size_t n_spin, size_t sigma, size_t sigmaprime, double scale_opp_spin, double scale_same_spin)

Calculate energy spin factor given by:

\[\begin{align*}f_{n_{spin} = 1} &= 2 * (\kappa_0 + \kappa_1) \newline f_{n_{spin} = 2} &= \kappa_{\delta_{\sigma \sigma'}} \end{align*}\]

Parameters

• n_spin – Number of spin channels

• sigma – Spin \(\sigma\)

• sigmaprime – Spin \(\sigma'\)

• scale_opp_spin – Opposite-spin scale factor \(\kappa_0\)

• scale_same_spin – Same-spin scale factor \(\kappa_1\)

Returns

Energy spin factor