Hartree-Fock's method

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• 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-Fock method — Hartrio ir Foko metodas statusas T sritis fizika atitikmenys: angl. Hartree Fock method vok. Hartree Fock Methode, f rus. метод Хартри Фока, m pranc. méthode de Hartree Fock, f …   Fizikos terminų žodynas

• Hartree-Fock-Methode — Hartrio ir Foko metodas statusas T sritis fizika atitikmenys: angl. Hartree Fock method vok. Hartree Fock Methode, f rus. метод Хартри Фока, m pranc. méthode de Hartree Fock, f …   Fizikos terminų žodynas

• 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

• méthode de Hartree-Fock — Hartrio ir Foko metodas statusas T sritis fizika atitikmenys: angl. Hartree Fock method vok. Hartree Fock Methode, f rus. метод Хартри Фока, m pranc. méthode de Hartree Fock, f …   Fizikos terminų žodynas

• 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

• 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

• Linear combination of atomic orbitals molecular orbital method — A linear combination of atomic orbitals or LCAO is a quantum superposition of atomic orbitals and a technique for calculating molecular orbitals in quantum chemistry [Huheey, James. Inorganic Chemistry:Principles of Structure and Reactivity ] .… …   Wikipedia

• Semi-empirical quantum chemistry method — Semi empirical quantum chemistry methods are based on the Hartree Fock formalism, but make many approximations and obtain some parameters from empirical data. They are very important in computational chemistry for treating large molecules where… …   Wikipedia