calc_fluorescence_rates_spin_avg Subroutine

public subroutine calc_fluorescence_rates_spin_avg(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 and considers averaging over 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