pyscfad.cc.rccsd.RCCSD#

class pyscfad.cc.rccsd.RCCSD(mf, frozen=None, mo_coeff=None, mo_occ=None)[source]#

Bases: CCSD

Methods

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)