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Hartree And Fock

См. также в других словарях:

  • Hartree-Fock — In computational physics and computational chemistry, the Hartree Fock (HF) method is an approximate method for the determination of the ground state wavefunction and ground state energy of a quantum many body system.The Hartree Fock method… …   Wikipedia

  • Hartree, Douglas R(ayner) — born March 27, 1897, Cambridge, Cambridgeshire, Eng. died Feb. 12, 1958, Cambridge English physicist, mathematician, and computer pioneer. At Manchester University in the mid 1930s he built a mechanical computer for solving differential equations …   Universalium

  • 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

  • Fock matrix — In quantum mechanics, the Fock matrix is a matrix approximating the single electron energy operator of a given quantum system in a given set of basis vectors.It is most often formed in computational chemistry when attempting to solve the Roothaan …   Wikipedia

  • Vladimir Fock — Vladimir Aleksandrovich Fock (or Fok, ru. Владимир Александрович Фoк) (December 22 1898 ndash;December 27 1974) was a Soviet physicist, who did foundational work on quantum mechanics. He was born in St. Petersburg, Russia. In 1922 he graduated… …   Wikipedia

  • Douglas Hartree — Douglas Rayner Hartree PhD, FRS (27 March 1897 – 12 February 1958) was an English mathematician and physicist most famous for the development of numerical analysis and its application to the Hartree Fock equations of atomic physics and the… …   Wikipedia

  • Unrestricted Hartree-Fock — (UHF) theory is the most common molecular orbital method for open shell molecules where the number of electrons of each spin are not equal. While restricted Hartree Fock theory uses a single molecular orbital twice, once multiplied by the α spin… …   Wikipedia

  • Post-Hartree-Fock — In computational chemistry, Post Hartree Fock methods are the set of methods developed to improve on the Hartree Fock (HF), or self consistent field (SCF) method. They add electron correlation which is a more accurate way of including the… …   Wikipedia

  • Restricted Open-shell Hartree-Fock — (ROHF) is a variant of Hartree Fock theory for open shell molecules. It uses doubly occupied molecular orbitals as far as possible and then singly occupied orbitals for the unpaired electrons. This is the simple picture for open shell molecules… …   Wikipedia

  • Méthode de Hartree-Fock non restreinte — La méthode de Hartree Fock non restreinte est une des applications théoriques les plus communément utilisées pour les composés à couche ouverte pour lesquels les nombres d électrons de chaque spin ne sont pas égaux. Principe Alors que la méthode… …   Wikipédia en Français

  • Wladimir Alexandrowitsch Fock — Wladimir Alexandrowitsch Fock. Wladimir Alexandrowitsch Fock (auch Fok, russisch Владимир Александрович Фок, wiss. Transliteration Vladimir Alexandrovič Fok; * 10.jul./ 22. Dezember  …   Deutsch Wikipedia

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