This module is for the calculation of Fluorescence rates written by Ludger Inhester in 2014/2015 at DESY CFEL
calculated fluorescence rates between MOs based on independent el. approximation (i.e. based on orbital energies)
| 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 | |||
| real(kind=long), | intent(out), | optional | :: | fluo_so(p%n_basis,p%n_basis) |
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 |
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
| 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 |
calculated fluorescence rates based on configuration interaction calculation print the configurations in the initial state basis (without projection)
| Type | Intent | Optional | 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 |