oeprop¶

psi4.driver.oeprop(wfn, *args, **kwargs)[source]¶

Evaluate one-electron properties.

Returns:

None

Parameters:

wfn (Wavefunction) – set of molecule, basis, orbitals from which to compute properties
args (List[str]) – Arbitrary-number of properties to be computed from wfn. See Available One-Electron Properties.
title (str) – label prepended to all psivars computed

Examples:

>>> # [1] Moments with specific label
>>> E, wfn = energy('hf', return_wfn=True)
>>> oeprop(wfn, 'DIPOLE', 'QUADRUPOLE', title='H3O+ SCF')