pyscfad.scf.hf.make_rdm1

pyscfad.scf.hf.make_rdm1(mo_coeff, mo_occ, **kwargs)

One-particle density matrix in AO representation

Args:

mo_coeff2D ndarray

Orbital coefficients. Each column is one orbital.

mo_occ1D ndarray

Occupancy

Returns:

One-particle density matrix, 2D ndarray