self-consistent field for molecular interactions

self-consistent field for molecular interactions
Makarov: SCF-MI

Универсальный русско-английский словарь. . 2011.

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  • Molecular orbital — See also: Molecular orbital theory In chemistry, a molecular orbital (or MO) is a mathematical function describing the wave like behavior of an electron in a molecule. This function can be used to calculate chemical and physical properties such… …   Wikipedia

  • Molecular orbital theory — In chemistry, molecular orbital (MO) theory is a method for determining molecular structure in which electrons are not assigned to individual bonds between atoms, but are treated as moving under the influence of the nuclei in the whole… …   Wikipedia

  • Molecular models of DNA — While this purified DNA precipitated in a water jug (left) appears to be a formless mass, nucleic acids actually possess intricate structure at the nanoscale (right). M …   Wikipedia

  • Mean field theory — (MFT, also known as self consistent field theory) is a method to analyse physical systems with multiple bodies. A many body system with interactions is generally very difficult to solve exactly, except for extremely simple cases (random field… …   Wikipedia

  • Polymer field theory — A polymer field theory within the framework of statistical mechanics is a statistical field theory, describing the statistical behavior of a neutral or charged polymer system within the field theoretic approach.It can be derived by transforming… …   Wikipedia

  • Self-organization — is a process of attraction and repulsion in which the internal organization of a system, normally an open system, increases in complexity without being guided or managed by an outside source. Self organizing systems typically (though not always)… …   Wikipedia

  • Force field (chemistry) — In the context of molecular mechanics, a force field (also called a forcefield) refers to the functional form and parameter sets used to describe the potential energy of a system of particles (typically but not necessarily atoms). Force field… …   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

  • Topic outline of chemistry — For a more comprehensive list, see the List of chemistry topics. Chemistry is the science of matter at the atomic to molecular scale, dealing primarily with collections of atoms, such as molecules, crystals, and metals. Chemistry deals with the… …   Wikipedia

  • chemical bonding — ▪ chemistry Introduction       any of the interactions that account for the association of atoms into molecules, ions, crystals, and other stable species that make up the familiar substances of the everyday world. When atoms approach one another …   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


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