Hartree-Fock-Slater method

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

• 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

• Slater determinant — In quantum mechanics, a Slater determinant is an expression that describes the wavefunction of a multi fermionic system that satisfies anti symmetry requirements and consequently the Pauli exclusion principle by changing sign upon exchange of… …   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

• 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

• Lois de Slater-Condon — En chimie numérique, les lois de Slater Condon indiquent les intégrales des opérateurs à un ou deux corps sur les fonctions d onde construites comme des déterminants de Slater d orbitales orthonormées en termes d orbitales individuelles. Ce… …   Wikipédia en Français

• 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

• Nuclear structure — Physics portal This page is an adapted translation of the corresponding fr:Structure nucléaire As will be noted, there remain void paragraphs, as on the original (which provides no sources). Competent Wikipedians are welcom …   Wikipedia

• Møller-Plesset perturbation theory — (MP) is one of several quantum chemistry post Hartree Fock ab initio methods in the field of computational chemistry. It improves on the Hartree Fock method by adding electron correlation effects by means of Rayleigh Schrödinger perturbation… …   Wikipedia

• Structure nucléaire — La connaissance de la structure des noyaux atomiques, ou structure nucléaire est un des chapitres clés de la physique nucléaire. Compte tenu de son importance, on en a fait un article séparé, et on consultera avec profit l’article physique… …   Wikipédia en Français

• Structure des noyaux atomiques — Structure nucléaire La connaissance de la structure des noyaux atomiques, ou structure nucléaire est un des chapitres clés de la physique nucléaire. Compte tenu de son importance, on en a fait un article séparé, et on consultera avec profit… …   Wikipédia en Français