Range-separated double-hybrid density-functional theory with coupled-cluster and random-phase approximations
نویسندگان
چکیده
منابع مشابه
Analytical Energy Gradients in Range-Separated Hybrid Density Functional Theory with Random Phase Approximation.
Analytical forces have been derived in the Lagrangian framework for several random phase approximation (RPA) correlated total energy methods based on the range separated hybrid (RSH) approach, which combines a short-range density functional approximation for the short-range exchange-correlation energy with a Hartree-Fock-type long-range exchange and RPA long-range correlation. The RPA correlati...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2019
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.5108536