pyscfad.mp.dfmp2.MP2#

class pyscfad.mp.dfmp2.MP2(mf, frozen=None, mo_coeff=None, mo_occ=None)[source]#

Bases: MP2

Methods

ao2mo([mo_coeff])

init_amps([mo_energy, mo_coeff, eris, with_t2])

kernel([mo_energy, mo_coeff, eris, with_t2])

Args:

loop_ao2mo(mo_coeff, nocc[, with_t2])