vibeqc.dipole_moment¶
- vibeqc.dipole_moment(result, basis, molecule, *, origin=None)[source]¶
Electric dipole moment of a converged SCF calculation.
origin(bohr) defaults to the molecular centre of mass, which makes the dipole origin-independent for neutral systems (the convention every standard QC code uses). For charged systems the dipole depends on origin; pass an explicit vector if you need a particular reference.- Parameters:
- Return type: