Class Scine::Sparrow::nddo::multipole::ZeroLocal2c2eIntegrals

class ZeroLocal2c2eIntegrals

Class that specifies which local two-center two-electron integrals are equal to zero in the semi-empirical approximation.

Public Static Functions

static bool isZero(GeneralTypes::twoElIntegral_t t1, GeneralTypes::twoElIntegral_t t2)

Returns whether the two two electron integral types have as result 0 because of the NDDO approximation.

Return

true if the integral <t1|1/r|t2> is zero due to the NDDO approximation.

Parameters

  • t1: first two electron integral type.

  • t2: second two electron integral type.