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