Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions

Abstract: We explore different variants of the random phase approximation (RPA) to the correlation energy derived from closed-shell ring-diagram approximations to coupled cluster doubles theory. We implement these variants in range-separated density-functional theory, i.e. by combining the long-range random phase approximations with short-range density-functional approximations. We perform tests on the rare-gas dimers He_2, Ne_2, and Ar_2, and on the weakly interacting molecular complexes of the S22 set of Jurecka et al. [Phys. Chem. Chem. Phys. 8, 1985 (2006)]. The two best variants correspond to the ones originally proposed by Szabo and Ostlund [J. Chem. Phys. 67, 4351 (1977)]. With range separation, they reach mean absolute errors on the equilibrium interaction energies of the S22 set of about 0.4 kcal/mol, corresponding to mean absolute percentage errors of about 4 %, with the aug-cc-pVDZ basis set.