On the equivalence of ring-coupled cluster and adiabatic connection fluctuation-dissipation theorem random phase approximation correlation energy expressions.
The correlation energy in the direct random phase approximation (dRPA) can be written, among other possibilities, either in terms of the interaction strength averaged correlation density matrix, or in terms of the coupled cluster doubles amplitudes obtained in the direct ring approximation (drCCD). Although the corresponding dRPA correlation density matrix on the one hand, and the drCCD amplitude matrix on the other hand, differ significantly, they yield identical energies. Similarly, the analogous RPA and rCCD correlation energies calculated from antisymmetrized two-electron integrals are identical to each other despite very different underlying working equations. In the present communication, a direct correspondence between amplitudes and densities is established and investigated with perturbation theory arguments. Our analysis also sheds some light on the properties of recently proposed RPA/rCCD variants which use antisymmetrized integrals in part of the equations and nonantisymmetrized integrals in others.
Fakultät für Chemie, Universität Duisburg-Essen, 45117 Essen, Germany. georg.jansen@uni-duisburg-essen.de
Georg
G
Jansen
Ru-Fen
RF
Liu
János G
JG
Angyán