Journal Article 7 Møller-Plesset perturbation theory 2 Research Support, Non-U.S. Gov't 2 second-order Møller-Plesset perturbation theory 2 8DUH1N11BX 1 GPGPU 1 K computer 1 mehr ... Koopmans' theorem 1 Ligands 1 Møller–Plesset perturbation theory 1 NTChem 1 Proteins 1 Rayleigh-Schrödinger perturbation theory 1 TSUBAME 2.5 1 Tryptophan 1 basis‐set convergence 1 biomolecule 1 cluster-in-molecule 1 coupled cluster 1 density‐functional theory 1 electron correlation 1 electron correlation theory 1 extend Koopmans' theorem 1 fragment molecular orbital method 1 gold clusters, structure and energetics • density functional theory • coupled cluster theory 1 ionization potential 1 large systems 1 local correlation 1 massively parallel algorithm 1 multireference perturbation theory 1 weniger ...