ai_spin_orbit.F File Reference

#include "../base/base_uses.f90"

Go to the source code of this file.

Modules
module	ai_spin_orbit
	Calculation of spin orbit integrals over Cartesian Gaussian-type functions.

Functions/Subroutines
subroutine, public	ai_spin_orbit::pso (la_max, la_min, npgfa, rpgfa, zeta, lb_max, lb_min, npgfb, rpgfb, zetb, rac, rbc, rab, vab, ldrr1, ldrr2, rr)
	Calculation of the primitive paramagnetic spin orbit integrals over Cartesian Gaussian-type functions.