pyscfad.cc.rccsd.RCCSD#
- class pyscfad.cc.rccsd.RCCSD(mf, frozen=None, mo_coeff=None, mo_occ=None)[source]#
Bases:
CCSDMethods
amplitude_equation(t1, t2, eris)ao2mo([mo_coeff])ccsd([t1, t2, eris, mbpt2])kernel([t1, t2, eris, mbpt2])Kernel function is the main driver of a method.
update_amps(t1, t2, eris)