forte2.scf.rhf

Module Contents

class forte2.scf.rhf.RHF

Bases: forte2.scf.scf_base.SCFBase

A class that runs restricted Hartree-Fock calculations.

gradient()

Compute the RHF analytic nuclear gradient with density fitting.

Returns:

ndarray

Gradient with shape (natoms, 3) in Hartree/Bohr.