multireference methods

multireference methods
Макаров: многоссылочные методы

Универсальный англо-русский словарь. . 2011.

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Смотреть что такое "multireference methods" в других словарях:

  • Multireference configuration interaction — In quantum chemistry, the multireference configuration interaction method consists in a configuration interaction expansion of the eigenstates of the electronic molecular Hamiltonian in a set of Slater determinants which correspond to excitations …   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

  • Debashis Mukherjee — At the 12th ICQC in Kyoto, 2006 Born 17 December 1946( …   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

  • Post-Hartree-Fock — In computational chemistry, Post Hartree Fock methods are the set of methods developed to improve on the Hartree Fock (HF), or self consistent field (SCF) method. They add electron correlation which is a more accurate way of including the… …   Wikipedia

  • Multi-configurational self-consistent field — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory …   Wikipedia

  • MOLPRO — in collaboration with other authors.The emphasis in the program is on highly accurate computations, with extensive treatment of the electron correlation problem through the multireference configuration interaction, coupled cluster and associated… …   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

  • Jacques-Louis David — Infobox Artist bgcolour = #EEDD82 name = Jacques Louis David imagesize = 200px caption = Self portrait of Jacques Louis David, 1794, Musée du Louvre birthname = Jacques Louis David birthdate = birth date|mf=yes|1748|8|30|mf=y location = Paris,… …   Wikipedia

  • Sigrid D. Peyerimhoff — (born January 12 1937 in Rottweil) is a theoretical chemist and Emeritus Professor at the Institute of Physical and Theoretical Chemistry, University of Bonn, Germany.In 1994 she was awarded the German Federal Order of Merit, first class. She… …   Wikipedia

  • Petr Cársky — Petr Čársky was born on May 29, 1942. He obtained in 1968 his Ph.D. at Czechoslovak Academy of Sciences, Prague. He worked as senior researcher at the Institute of Organic Chemistry and Biochemistry, Czechoslovak Academy of Sciences, Prague (1989 …   Wikipedia


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