- Density Functional Theory
- Биофизика: теория функции плотности
Универсальный англо-русский словарь. Академик.ру. 2011.
Density Functional Theory
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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
Time-dependent density functional theory — (TDDFT) is a quantum mechanical method used inphysics and chemistry to investigate the proprieties of many body systems beyond the ground statestructure. It s an extension of density functional theory (DFT) to the time dependent domain asa method … Wikipedia
Orbital-free density functional theory — In computational chemistry, orbital free density functional theory is a quantum mechanical approach to electronic structure determination which is based on functionals of the electronic density. It is most closely related to the Thomas–Fermi… … Wikipedia
Amsterdam Density Functional — (ADF) is a program for first principles electronic structure calculations that makes use of density functional theory. [ Computational Chemistry , David Young, Wiley Interscience, 2001. Appendix A. A.2.1 pg 332, ADF ] ADF was first developed in… … Wikipedia
Functional derivative — In mathematics and theoretical physics, the functional derivative is a generalization of the directional derivative. The difference is that the latter differentiates in the direction of a vector, while the former differentiates in the direction… … Wikipedia
Density matrix — Mixed state redirects here. For the psychiatric condition, see Mixed state (psychiatry). In quantum mechanics, a density matrix is a self adjoint (or Hermitian) positive semidefinite matrix (possibly infinite dimensional) of trace one, that… … Wikipedia
Theory of Condensed Matter group — The Theory of Condensed Matter (TCM) group is the principal theoretical, as opposed to experimental, branch of the Cavendish Laboratory (physics department) in the University of Cambridge.ResearchIt focuses on four broad categories of research:… … Wikipedia
Local-density approximation — The local density approximation (LDA) is an approximation of the exchange correlation (XC) energy functional in density functional theory (DFT) by taking the XC energy of an electron in a homogeneous electron gas of a density equal to the density … Wikipedia
Hybrid functional — A hybrid functional is an exchange correlation functional used in density functional theory (DFT) that incorporates a portion of exact exchange from Hartree Fock theory with exchange and correlation from other sources ( ab initio , such as LDA,… … Wikipedia
Electronic density — In quantum mechanics, and in particular quantum chemistry, the electronic density is a probabilistic measure of the number of electrons occupying a given element of space. It is a scalar quantity depending upon three spatial variables and is… … Wikipedia
Dynamical mean field theory — (DMFT) is a method to determine the electronic structure of strongly correlated materials. In such materials, the approximation of independent electrons, which is used in Density Functional Theory and usual band structure calculations, breaks… … Wikipedia
