calc_oscillator_strength_ci Subroutine

public subroutine calc_oscillator_strength_ci(p, a, b, f, g)

calculates the oscillator strenght employing a CI calculation make natural orbitals

Arguments

Type IntentOptional Attributes Name
type(param), intent(in) :: p
type(atom_set), intent(in) :: a(:)
type(basis), intent(in) :: b
type(wf_data), intent(inout) :: f
type(grid3d), intent(in) :: g