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- N-electron_valence_state_perturbation_theory abstract "In quantum chemistry, n-electron valence state perturbation theory (NEVPT) is a perturbative treatment applicable to multireference CASCI-type wavefunctions. It can be considered as a generalization of the well-known second-order Møller–Plesset perturbation theory to multireference Complete Active Space cases. The theory is directly integrated into the quantum chemistry packages DALTON and ORCA.The research performed into the development of this theory led to various implementations. The theory here presented refers to the deployment for the Single-State NEVPT, where the perturbative correction is applied to a single electronic state.Research implementations has been also developed for Quasi-Degenerate cases, where a set of electronic states undergo the perturbative correction at the same time, allowing interaction among themselves. The theory development makes use of the quasi-degenerate formalism by Lindgren and the Hamiltonian multipartitioning technique from Zaitsevskii and Malrieu.".
- N-electron_valence_state_perturbation_theory wikiPageID "4016952".
- N-electron_valence_state_perturbation_theory wikiPageLength "18139".
- N-electron_valence_state_perturbation_theory wikiPageOutDegree "19".
- N-electron_valence_state_perturbation_theory wikiPageRevisionID "678380895".
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Category:Computational_chemistry.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Category:Electron_states.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Complete_active_space.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink DALTON.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Dalton_(program).
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Dyall_Hamiltonian.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Dyalls_Hamiltonian.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Electron_correlation.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Electronic_correlation.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Intruder_state.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Multireference_configuration_interaction.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Møller–Plesset_perturbation_theory.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink ORCA_(Quantum_Chemistry_Program).
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Perturbation_theory_(quantum_mechanics).
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Post-Hartree–Fock.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Quantum_chemistry.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Size_consistency.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Size_consistency_and_size_extensivity.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Slater_determinant.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Strict_separability.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Wave_function.
- N-electron_valence_state_perturbation_theory wikiPageWikiLink Wavefunction.
- N-electron_valence_state_perturbation_theory wikiPageWikiLinkText "''n''-electron valence state perturbation theory".
- N-electron_valence_state_perturbation_theory wikiPageWikiLinkText "N-electron valence state perturbation theory".
- N-electron_valence_state_perturbation_theory wikiPageWikiLinkText "n-electron valence state perturbation theory".
- N-electron_valence_state_perturbation_theory hasPhotoCollection N-electron_valence_state_perturbation_theory.
- N-electron_valence_state_perturbation_theory wikiPageUsesTemplate Template:Cite_journal.
- N-electron_valence_state_perturbation_theory subject Category:Computational_chemistry.
- N-electron_valence_state_perturbation_theory subject Category:Electron_states.
- N-electron_valence_state_perturbation_theory hypernym Treatment.
- N-electron_valence_state_perturbation_theory type Drug.
- N-electron_valence_state_perturbation_theory comment "In quantum chemistry, n-electron valence state perturbation theory (NEVPT) is a perturbative treatment applicable to multireference CASCI-type wavefunctions. It can be considered as a generalization of the well-known second-order Møller–Plesset perturbation theory to multireference Complete Active Space cases. The theory is directly integrated into the quantum chemistry packages DALTON and ORCA.The research performed into the development of this theory led to various implementations.".
- N-electron_valence_state_perturbation_theory label "N-electron valence state perturbation theory".
- N-electron_valence_state_perturbation_theory sameAs Teoria_NEVPT.
- N-electron_valence_state_perturbation_theory sameAs m.0bcq8r.
- N-electron_valence_state_perturbation_theory sameAs Q3984072.
- N-electron_valence_state_perturbation_theory sameAs Q3984072.
- N-electron_valence_state_perturbation_theory wasDerivedFrom N-electron_valence_state_perturbation_theory?oldid=678380895.
- N-electron_valence_state_perturbation_theory isPrimaryTopicOf N-electron_valence_state_perturbation_theory.