pyscfad.mp.mp2.RMP2

pyscfad.mp.mp2.RMP2

Methods

ao2mo([mo_coeff])
energy(t2, eris)	MP2 energy
init_amps([mo_energy, mo_coeff, eris, with_t2])
kernel([mo_energy, mo_coeff, eris, with_t2])	Args:
make_rdm1([t2, eris, ao_repr])	Spin-traced one-particle density matrix.
update_amps(t2, eris)	Update non-canonical MP2 amplitudes

alias of MP2