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density-functional tight-binding potential

См. также в других словарях:

  • 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

  • Tight binding — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbat …   Wikipedia

  • Bond order potential — Bond order potentials are a class of empirical (analytical) potentials used e.g. in molecular dynamics and molecular statics simulations. Examples include the Tersoff potentialcite journal first = J. last = Tersoff authorlink = coauthors = year …   Wikipedia

  • Molecular dynamics — (MD) is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. In the most common version, the trajectories of molecules… …   Wikipedia

  • Electronic band structure — In solid state physics, the electronic band structure (or simply band structure) of a solid describes ranges of energy that an electron is forbidden or allowed to have. It is due to the diffraction of the quantum mechanical electron waves in the… …   Wikipedia

  • Nobel Prizes — ▪ 2009 Introduction Prize for Peace       The 2008 Nobel Prize for Peace was awarded to Martti Ahtisaari, former president (1994–2000) of Finland, for his work over more than 30 years in settling international disputes, many involving ethnic,… …   Universalium

  • Nearly-free electron model — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbat …   Wikipedia

  • Kohn-Sham-Gleichung — Die Dichtefunktionaltheorie (DFT) ist ein Verfahren zur Bestimmung des quantenmechanischen Grundzustandes eines Vielelektronensystems, das auf der (ortsabhängigen) Dichte der Elektronen beruht. Die Dichtefunktionaltheorie wird zur Berechnung… …   Deutsch Wikipedia

  • Carbon nanotube — Not to be confused with Carbon fiber. Part of a series of articles on Nanomaterials Fullerenes …   Wikipedia

  • Vitamin K — has also been used as a slang term for ketamine, an unrelated anaesthetic. Vitamin K1 (phylloquinone). Both forms of the vitamin contain a functional naphthoquinone ring and an aliphatic side chain. Phylloquinone has a phytyl side chain …   Wikipedia

  • Free electron model — In three dimensions, the density of states of a gas of fermions is proportional to the square root of the kinetic energy of the particles. In solid state physics, the free electron model is a simple model for the behaviour of valence electrons in …   Wikipedia

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