pyscfad.mp.ump2.MP2#
- pyscfad.mp.ump2.MP2[source]#
Methods
ao2mo([mo_coeff])density_fit([auxbasis, with_df])energy(t2, eris)MP2 energy
init_amps([mo_energy, mo_coeff, eris, with_t2])kernel([mo_energy, mo_coeff, eris, with_t2])update_amps(t2, eris)Update non-canonical MP2 amplitudes
alias of
UMP2