atomic natural orbital basis sets

atomic natural orbital basis sets
Макаров: базисные наборы атомных натуральных орбиталей

Универсальный англо-русский словарь. . 2011.

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  • Natural bond orbital — In quantum chemistry, a natural bond orbital or NBO is a calculated bonding orbital with maximum electron density. The NBOs are one of a sequence of natural localized orbital sets that include Natural Atomic Orbitals (NAO), Natural Hybrid… …   Wikipedia

  • Slater-type orbital — Slater type orbitals (STOs) are functions used as atomic orbitals in the linear combination of atomic orbitals molecular orbital method. They are named after the physicist John C. Slater, who introduced them in 1930 [J.C. Slater, Atomic Shielding …   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

  • International Space Station — ISS redirects here. For other uses, see ISS (disambiguation). International Space Station …   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

  • chemistry — /kem euh stree/, n., pl. chemistries. 1. the science that deals with the composition and properties of substances and various elementary forms of matter. Cf. element (def. 2). 2. chemical properties, reactions, phenomena, etc.: the chemistry of… …   Universalium

  • spectroscopy — spectroscopist /spek tros keuh pist/, n. /spek tros keuh pee, spek treuh skoh pee/, n. the science that deals with the use of the spectroscope and with spectrum analysis. [1865 70; SPECTRO + SCOPY] * * * Branch of analysis devoted to identifying… …   Universalium

  • radiation — radiational, adj. /ray dee ay sheuhn/, n. 1. Physics. a. the process in which energy is emitted as particles or waves. b. the complete process in which energy is emitted by one body, transmitted through an intervening medium or space, and… …   Universalium

  • physical science — physical scientist. 1. any of the natural sciences dealing with inanimate matter or with energy, as physics, chemistry, and astronomy. 2. these sciences collectively. [1835 45] * * * Introduction       the systematic study of the inorganic world …   Universalium

  • analysis — /euh nal euh sis/, n., pl. analyses / seez /. 1. the separating of any material or abstract entity into its constituent elements (opposed to synthesis). 2. this process as a method of studying the nature of something or of determining its… …   Universalium

  • Mathematics and Physical Sciences — ▪ 2003 Introduction Mathematics       Mathematics in 2002 was marked by two discoveries in number theory. The first may have practical implications; the second satisfied a 150 year old curiosity.       Computer scientist Manindra Agrawal of the… …   Universalium


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