openfermion.linalg.singlet_erpa

Generate the singlet ERPA equations

Main aliases

openfermion.linalg.erpa.singlet_erpa, openfermion.singlet_erpa

 
openfermion.linalg.singlet_erpa(
    tpdm: numpy.ndarray, h_ijkl: numpy.ndarray
) -> Tuple[numpy.ndarray, numpy.ndarray, Dict]

[ea + eb, [H, sa, sb]] = [ea, [H, sa]]

The erpa equations are solved with scipy.linalg.eig which calls lapack's geev

tpdm 2-RDM tensor normal OpenFermion format
h_ijkl reduced Hamiltonian tensor

Tuple of the erpa system.