- overlap integrals
- • интеграл на припокриване
English-Bulgarian polytechnical dictionary . 2013.
English-Bulgarian polytechnical dictionary . 2013.
Zero-differential overlap — is an approximation that is used to ignore certain integrals, usually two electron repulsion integrals, in Semi empirical quantum chemistry methods quantum chemistry molecular orbital methods.If the molecular orbitals mathbf{Phi} i are expanded… … Wikipedia
STO-nG basis sets — STO nG basis sets are the minimal basis sets, where n represents the number of primitive Gaussian functions comprising a single basis set. For minimal basis sets, the core and valence orbitals are represented by same number primitive Gaussian fu … 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
PLATO (computational chemistry) — PLATO (Package for Linear combination of ATomic Orbitals) is a suite of programs designed and written by Andrew Horsfield and Steven Kenny. Capabilities of the program include a tight binding algorithm, and a self consistent field method using… … Wikipedia
List of numerical analysis topics — This is a list of numerical analysis topics, by Wikipedia page. Contents 1 General 2 Error 3 Elementary and special functions 4 Numerical linear algebra … Wikipedia
Integral — This article is about the concept of integrals in calculus. For the set of numbers, see integer. For other uses, see Integral (disambiguation). A definite integral of a function can be represented as the signed area of the region bounded by its… … Wikipedia
Hückel method — The Hückel method or Hückel molecular orbital method (HMO) proposed by Erich Hückel in 1930, is a very simple linear combination of atomic orbitals molecular orbitals (LCAO MO) method for the determination of energies of molecular orbitals of pi… … Wikipedia
Franck-Condon principle — The Franck Condon principle is a rule in spectroscopy and quantum chemistry that explains the intensity of vibronic transitions. Vibronic transitions are the simultaneous changes in electronic and vibrational energy levels of a molecule due to… … Wikipedia
Michael P. Barnett — Michael Peter Barnett (born 24 March 1929) is a theoretical chemist and computer scientist. He has developed mathematical and computer techniques for quantum chemical problems, and some of the earliest software for several other kinds of computer … Wikipedia
Curvilinear coordinates — Curvilinear, affine, and Cartesian coordinates in two dimensional space Curvilinear coordinates are a coordinate system for Euclidean space in which the coordinate lines may be curved. These coordinates may be derived from a set of Cartesian… … Wikipedia
mathematics — /math euh mat iks/, n. 1. (used with a sing. v.) the systematic treatment of magnitude, relationships between figures and forms, and relations between quantities expressed symbolically. 2. (used with a sing. or pl. v.) mathematical procedures,… … Universalium