occ::ints::ecp_detail Namespace Reference

Functions
void	scaled_bessel_i (int lmax, double z, double *out)
	Exponentially scaled modified spherical Bessel functions of the first kind, out[l] = exp(-z) i_l(z) for l = 0..lmax.
void	boys (int mmax, double T, double *out)
	Boys functions F_m(T), m = 0..mmax.
void	gfunc (int mmax, double T, double *out)
	G_m(T) = int_0^1 (1-v^2)^m exp(-T(1-v^2)) dv, m = 0..mmax.

Function Documentation

boys()

void occ::ints::ecp_detail::boys	(	int	mmax,
		double	T,
		double *	out )

Boys functions F_m(T), m = 0..mmax.

gfunc()

void occ::ints::ecp_detail::gfunc	(	int	mmax,
		double	T,
		double *	out )

G_m(T) = int_0^1 (1-v^2)^m exp(-T(1-v^2)) dv, m = 0..mmax.

scaled_bessel_i()

void occ::ints::ecp_detail::scaled_bessel_i	(	int	lmax,
		double	z,
		double *	out )

Exponentially scaled modified spherical Bessel functions of the first kind, out[l] = exp(-z) i_l(z) for l = 0..lmax.

Relative accuracy ~1e-14.