calc_fluorescence_rates_spin Subroutine

public subroutine calc_fluorescence_rates_spin(p, b, f, g, s)

calculated fluorescence rates between MOs based on independent el. approximation (i.e. based on orbital energies) but resolves individual spin configurations

Arguments

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