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)