Class Scine::Sparrow::nddo::multipole::Local2c2eMatrix

template<Utils::derivOrder O>
class Local2c2eMatrix

This class creates the local two-center two-electron matrix for an atom pair.

Public Functions

void calculateSym(double R)

Calculates the two-center two-electron matrix for two identical elements.

void calculateAsym(double R)

Calculates the two-center two-electron matrix for two different elements.