grpp_screening.h File Reference

#include "libgrpp.h"

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Functions
int	libgrpp_screening_radial_type1 (int lambda, int n, double CA_2, double CB_2, double alpha_A, double alpha_B, double k, double prefactor, libgrpp_potential_t *potential, double *screened_value)
int	libgrpp_screening_radial_type2 (int lambda1, int lambda2, int n, double CA_2, double CB_2, libgrpp_shell_t *bra, libgrpp_shell_t *ket, libgrpp_potential_t *potential, double *screened_value)

Function Documentation

libgrpp_screening_radial_type1()

int libgrpp_screening_radial_type1	(	int	lambda,
		int	n,
		double	CA_2,
		double	CB_2,
		double	alpha_A,
		double	alpha_B,
		double	k,
		double	prefactor,
		libgrpp_potential_t *	potential,
		double *	screened_value
	)

screening for the type 1 radial integrals for the pair of contracted gaussian functions.

Definition at line 67 of file grpp_screening.c.

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libgrpp_screening_radial_type2()

int libgrpp_screening_radial_type2	(	int	lambda1,
		int	lambda2,
		int	n,
		double	CA_2,
		double	CB_2,
		libgrpp_shell_t *	bra,
		libgrpp_shell_t *	ket,
		libgrpp_potential_t *	potential,
		double *	screened_value
	)

screening for the type 2 radial integrals for the pair of contracted gaussian functions.

Definition at line 179 of file grpp_screening.c.

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