configuration interaction algorithm

configuration interaction algorithm
Макаров: алгоритм метода конфигурационного взаимодействия

Универсальный англо-русский словарь. . 2011.

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  • Full configuration interaction — (or full CI) is a linear variational approach which provides numerically exact solutions (within the given one particle basis set) to the electronic Schrödinger equation. Explanation It is a special case of the configuration interaction method in …   Wikipedia

  • Configuration state function — In quantum chemistry, a configuration state function (CSF), is a symmetry adapted linear combination of Slater determinants. A CSF must not be confused with a configuration. Contents 1 Definition 2 From Configurations to Configuration State… …   Wikipedia

  • Automatic calculation of particle interaction or decay — The automatic calculation of particle interaction or decay is part of the computational particle physics branch. It refers to computing tools that help calculating the complex particle interactions as studied in high energy physics, astroparticle …   Wikipedia

  • 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

  • Density matrix renormalization group — The density matrix renormalization group (DMRG) is a numerical variational technique devised to obtain the low energy physics of quantum many body systems with high accuracy. It was invented in 1992 by Steven R. White and it is nowadays the most… …   Wikipedia

  • Lennard-Jones potential — Computational physics Numerical analysis  …   Wikipedia

  • Ising model — The Ising model, named after the physicist Ernst Ising, is a mathematical model in statistical mechanics. It has since been used to model diverse phenomena in which bits of information, interacting in pairs, produce collectiveeffects.Definition… …   Wikipedia

  • Mathematics and Physical Sciences — ▪ 2003 Introduction Mathematics       Mathematics in 2002 was marked by two discoveries in number theory. The first may have practical implications; the second satisfied a 150 year old curiosity.       Computer scientist Manindra Agrawal of the… …   Universalium

  • Feynman diagram — The Wick s expansion of the integrand gives (among others) the following termNarpsi(x)gamma^mupsi(x)arpsi(x )gamma^ upsi(x )underline{A mu(x)A u(x )};,whereunderline{A mu(x)A u(x )}=int{d^4pover(2pi)^4}{ig {mu u}over k^2+i0}e^{ k(x x )}is the… …   Wikipedia

  • Macromolecular docking — is the computational modelling of the molecular structure of complexes formed by two or more interacting biological macromolecules. Protein protein complexes are the most commonly attempted targets, followed increasingly by protein nucleic acid… …   Wikipedia

  • mathematics, East Asian — Introduction       the discipline of mathematics as it developed in China and Japan.       When speaking of mathematics in East Asia, it is necessary to take into account China, Japan, Korea, and Vietnam as a whole. At a very early time in their… …   Universalium


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