virtual orbitals

virtual orbitals
Макаров: виртуальные орбитали, незаполненные орбитали

Универсальный англо-русский словарь. . 2011.

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Смотреть что такое "virtual orbitals" в других словарях:

  • N-Electron Valence state Perturbation Theory — In quantum chemistry, N Electron Valence state Perturbation Theory (NEVPT) is a perturbative treatment applicable to multireference CASCI type wavefunctions. It can be considered as a generalization of the well known second order Møller Plesset… …   Wikipedia

  • n-electron valence state perturbation theory — In quantum chemistry, n electron valence state perturbation theory (NEVPT) is a perturbative treatment applicable to multireference CASCI type wavefunctions. It can be considered as a generalization of the well known second order Møller Plesset… …   Wikipedia

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

  • Configuration interaction — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory …   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

  • Full configuration interaction — (or full CI) is a linear variational approach which provides numerically exact solutions (within the given one particle basis set) to the electronic Schrödinger equation. Explanation It is a special case of the configuration interaction method in …   Wikipedia

  • Møller-Plesset perturbation theory — (MP) is one of several quantum chemistry post Hartree Fock ab initio methods in the field of computational chemistry. It improves on the Hartree Fock method by adding electron correlation effects by means of Rayleigh Schrödinger perturbation… …   Wikipedia

  • Dyall Hamiltonian — In quantum chemistry, the Dyall Hamiltonian is a modified Hamiltonian with two electron nature. It can be written as follows …   Wikipedia

  • Electron — For other uses, see Electron (disambiguation). Electron Experiments with a Crookes tube first demonstrated the particle nature of electrons. In this illustration, the profile of the cross shaped target is projected against the tube face at right… …   Wikipedia

  • The Culture — is a fictional interstellar anarchist, socialist, and utopian[1][2] society created by the Scottish writer Iain M. Banks which features in a number of science fiction novels and works of short fiction by him, collectively called the Culture… …   Wikipedia

  • Alkane — Not to be confused with Alkene or Alkyne. Chemical structure of methane, the simplest alkane Alkanes (also known as paraffins or saturated hydrocarbons) are chemical compounds that consist only of hydrogen and carbon atoms and are bonded… …   Wikipedia


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