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correlation-energy functional

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  • Functional magnetic resonance imaging — Functional MRI or functional Magnetic Resonance Imaging (fMRI) is a type of specialized MRI scan. It measures the haemodynamic response related to neural activity in the brain or spinal cord of humans or other animals. It is one of the most… …   Wikipedia

  • 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

  • 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

  • Fluorescence correlation spectroscopy — (FCS) is a common technique used by physicists, chemists, and biologists to experimentally characterize the dynamics of fluorescent species (e.g. single fluorescent dye molecules in nanostructured materials, autofluorescent proteins in living… …   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

  • Dual-energy X-ray absorptiometry — Not to be confused with Bone scan. Dual energy X ray absorptiometry Intervention A scanner used to measure bone density with dual energy X ray absorptiometry. ICD 9 CM …   Wikipedia

  • Fonctionnelle hybride — Une fonctionnelle hybride est un élément d une classe d approximations à la fonctionnelle d échange corrélation, introduite en 1993 par Axel Becke[1], utilisé au sein de la théorie de la fonctionnelle de la densité (DFT). La caractéristique de… …   Wikipédia en Français

  • 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

  • Effective action — In quantum field theory, the effective action is a modified expression for the action, which takes into account quantum mechanical corrections, in the following sense: In classical mechanics, the equations of motion can be derived from the action …   Wikipedia

  • 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

  • Chemical potential — Chemical potential, symbolized by μ, is a measure first described by the American engineer, chemist and mathematical physicist Josiah Willard Gibbs. It is the potential that a substance has to produce in order to alter a system.[1] In broadest… …   Wikipedia

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