- generalized molecular orbital method with configuration interaction
- Макаров: обобщённый метод молекулярных орбиталей с конфигурационным взаимодействием
Универсальный англо-русский словарь. Академик.ру. 2011.
generalized molecular orbital method with configuration interaction
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Molecular orbital — See also: Molecular orbital theory In chemistry, a molecular orbital (or MO) is a mathematical function describing the wave like behavior of an electron in a molecule. This function can be used to calculate chemical and physical properties such… … Wikipedia
Fragment molecular orbital — The fragment molecular orbital method (FMO) is a computational method that can compute very large molecular systems with thousands of atoms using ab initio quantum chemical wave functions. Introduction The fragment molecular orbital method (FMO)… … Wikipedia
chemistry — /kem euh stree/, n., pl. chemistries. 1. the science that deals with the composition and properties of substances and various elementary forms of matter. Cf. element (def. 2). 2. chemical properties, reactions, phenomena, etc.: the chemistry of… … Universalium
Coupled cluster — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory … Wikipedia
Tight binding — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbat … Wikipedia
GAMESS (US) — is a computational chemistry software program that stands for General Atomic and Molecular Electronic Structure System. [ Computational Chemistry , David Young, Wiley Interscience, 2001. Appendix A. A.2.3 pg 334, GAMESS ] [ cite… … Wikipedia
cosmos — /koz meuhs, mohs/, n., pl. cosmos, cosmoses for 2, 4. 1. the world or universe regarded as an orderly, harmonious system. 2. a complete, orderly, harmonious system. 3. order; harmony. 4. any composite plant of the genus Cosmos, of tropical… … Universalium
Density functional theory — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory … Wikipedia
Ab initio quantum chemistry methods — are computational chemistry methods based on quantum chemistry.[1] The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene.[2][3] The… … Wikipedia
Multi-configurational self-consistent field — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory … Wikipedia
Møller–Plesset perturbation theory — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation th … Wikipedia
