arc.calculations_atom_pairstate.PairStateInteractions.matDiagonal#
- PairStateInteractions.matDiagonal#
Part of interaction matrix in pair-state basis that doesn’t depend on inter-atomic distance. E.g. diagonal elements of the interaction matrix, that describe energies of the pair states in unperturbed basis, will be stored here. Basis states are stored in
PairStateInteractions.basisStates
. Calculated byPairStateInteractions.defineBasis
.