calculates the electron transfer coupling elements by projection-operator approach Kondov et al. J.Phys.Chem.C 2007, 111, 11970-11981
source: et_coupling_proj.Fcalculates the electron transfer coupling elements by projection-operator approach Kondov et al. J.Phys.Chem.C 2007, 111, 11970-11981
TYPE(qs_environment_type), |
POINTER |
:: | qs_env | QuickStep environment containing all system data |