mpqc::lcao::ci Namespace Reference

Namespaces
	detail

Classes
class	CIS
class	sCI

Functions
template<typename Tile , typename Policy >
TA::DistArray< Tile, Policy >	compute_cis_d_double_amplitude (LCAOFactory< Tile, Policy > &lcao_factory, const TA::DistArray< Tile, Policy > &cis_ampl, typename Tile::numeric_type cis_energy, bool df)

Function Documentation

compute_cis_d_double_amplitude()

template<typename Tile , typename Policy >

TA::DistArray<Tile, Policy> mpqc::lcao::ci::compute_cis_d_double_amplitude	(	LCAOFactory< Tile, Policy > &	lcao_factory,
		const TA::DistArray< Tile, Policy > &	cis_ampl,
		typename Tile::numeric_type	cis_energy,
		bool	df
	)

CIS(D) Class, to be implemented

Helmich, B.; Hättig, C. J. Chem. Phys. 2011, 135 (21), 214106.