properties

class slowquant.properties.propertiesclass._Properties(molecule_object: _Molecule, integral_object: _Integral)

Initialize properties class.

Parameters:

• molecule_object – Molecule object.

• integral_object – Integral object.

get_dipole_moment(rdm1: ndarray) → ndarray

Get dipole moment with repect to center of mass.

Parameters:

rdm1 – One-electron reduced density matrix.

Returns:

Dipole moment (x, y, z).