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correlated calculation

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  • MNDO — MNDO, or Modified Neglect of Differential Overlap is a semi empirical method for the quantum calculation of molecular electronic structure in computational chemistry. It is based on the Neglect of Differential Diatomic Overlap integral… …   Wikipedia

  • Color temperature — The CIE 1931 x,y chromaticity space, also showing the chromaticities of black body light sources of various temperatures (Planckian locus), and lines of constant correlated color temperature. Color temperature is a characteristic of visible light …   Wikipedia

  • Determination of equilibrium constants — Equilibrium constants are determined in order to quantify chemical equilibria. When an equilibrium constant is expressed as a concentration quotient, it is implied that the activity quotient is constant. In order for this assumption to be valid… …   Wikipedia

  • Bell's theorem — is a theorem that shows that the predictions of quantum mechanics (QM) are not intuitive, and touches upon fundamental philosophical issues that relate to modern physics. It is the most famous legacy of the late physicist John S. Bell. Bell s… …   Wikipedia

  • Earth Sciences — ▪ 2009 Introduction Geology and Geochemistry       The theme of the 33rd International Geological Congress, which was held in Norway in August 2008, was “Earth System Science: Foundation for Sustainable Development.” It was attended by nearly… …   Universalium

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

  • Color rendering index — Emitted light spectrum determines the color rendering index of the lamp. Color render …   Wikipedia

  • Ab initio quantum chemistry methods — are computational chemistry methods based on quantum chemistry.[1] The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene.[2][3] The… …   Wikipedia

  • Least squares — The method of least squares is a standard approach to the approximate solution of overdetermined systems, i.e., sets of equations in which there are more equations than unknowns. Least squares means that the overall solution minimizes the sum of… …   Wikipedia

  • RAID — This article is about the data storage technology. For other uses, see Raid (disambiguation). RAID, an acronym for Redundant Array of Independent Disks (originally Redundant Array of Inexpensive Disks),[1] is a storage… …   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

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