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Showing 1 to 2 of 2 for “"Moller-Plesset perturbation"”.
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Large-Scale Applications of Multi-Reference Methods in Chemistry and Development of a Multi-Reference Moller-Plesset Perturbation Theory Program
… second part, algorithms for a multi-reference Moller-Plesset perturbation theory (MR-MP2) program, designed to perform large-scale computations, were developed and implemented. The MR-MP2 approach represents the most cost-effective multireference ansatz and requires an efficient evaluation of …
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Vibrational many-body methods for molecules and extended systems
… and doubles (CCSD), CCSD with a second-order perturbation correction in the space of triples [CCSD(2)$_\textit{T}$] and in the space of triples and quadruples [CCSD(2)$_\textit{TQ}$], and a correlation-consistent basis set series to achieve the complete-correlation, complete-basis-set limits …