method of Fock functionals

method of Fock functionals
Макаров: метод функционалов Фока (ктп)

Универсальный англо-русский словарь. . 2011.

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  • Fock, Vladimir Aleksandrovich — ▪ Russian mathematical physicist born Dec. 22 [Dec. 10, Old Style], 1898, St. Petersburg, Russia died Dec. 27, 1974, Leningrad, Russia, U.S.S.R. [now St. Petersburg, Russia]       Russian mathematical physicist who made seminal contributions to… …   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

  • Crystal (software) — For other uses, see Crystal (disambiguation). CRYSTAL is a quantum chemistry ab initio program, designed primarily for calculations on crystals (3 dimensions), slabs (2 dimensions) and polymers (1 dimension) using translational symmetry, but it… …   Wikipedia

  • Spectral theory of ordinary differential equations — In mathematics, the spectral theory of ordinary differential equations is concerned with the determination of the spectrum and eigenfunction expansion associated with a linear ordinary differential equation. In his dissertation Hermann Weyl… …   Wikipedia

  • Theorie de la fonctionnelle de la densite — Théorie de la fonctionnelle de la densité Méthodes numériques pour le calcul de la structure électronique Hartree Fock Théorie de la perturbation de Møller Plesset Interaction de configuration Méthode du cluster couplé Champ multi… …   Wikipédia en Français

  • Théorie de la fonctionnelle de la densité — Pour les articles homonymes, voir DFT. La théorie de la fonctionnelle de la densité (pour Density Functional Theory, sous entendu électronique : DFT) constitue au début du XXIe siècle l une des méthodes les plus utilisées dans les… …   Wikipédia en Français

  • Théorie de la fonctionnelle densité — Théorie de la fonctionnelle de la densité Méthodes numériques pour le calcul de la structure électronique Hartree Fock Théorie de la perturbation de Møller Plesset Interaction de configuration Méthode du cluster couplé Champ multi… …   Wikipédia en Français

  • 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

  • Computational chemistry — is a branch of chemistry that uses principles of computer science to assist in solving chemical problems. It uses the results of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of… …   Wikipedia

  • Hybrid functional — A hybrid functional is an exchange correlation functional used in density functional theory (DFT) that incorporates a portion of exact exchange from Hartree Fock theory with exchange and correlation from other sources ( ab initio , such as LDA,… …   Wikipedia

  • Tensor product — In mathematics, the tensor product, denoted by otimes, may be applied in different contexts to vectors, matrices, tensors, vector spaces, algebras, topological vector spaces, and modules. In each case the significance of the symbol is the same:… …   Wikipedia


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