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  • Multireferenčná stavovošpecifická Brillouin-Wignerová poruchová teória druhého rádu je prezentovaná ako veľmi účinný nástroj na štúdium elektrónovej korelácie v prípade multireferenčného problému. A posteriori korekcie vedú k formulácii multireferenčnej stavovošpecifickej MP2 metódy. (cs)
  • The multireference, state-specific, second-order, Brillouin-Wigner perturbation theory is presented as a robust approach to the electron correlation problem for systems demanding the use of a multireference function. A posteriori modifications are made which, in the case of a single reference function, recover the well known formula of second-order many-body perturbation theory (MBPT2), i.e. Moller-Plesset (MP2) theory, and in the multireference case can be shown to be equivalent to state-specific multireference Rayleigh-Schrodinger-like perturbation theory. It is shown that multireference many-body Brillouin-Wigner perturbation theory when restricted to second-order is a true many-body theory, that is, it is a theory, which has the property of extensivity. (c) 2007 Wiley Periodicals, Inc.
  • The multireference, state-specific, second-order, Brillouin-Wigner perturbation theory is presented as a robust approach to the electron correlation problem for systems demanding the use of a multireference function. A posteriori modifications are made which, in the case of a single reference function, recover the well known formula of second-order many-body perturbation theory (MBPT2), i.e. Moller-Plesset (MP2) theory, and in the multireference case can be shown to be equivalent to state-specific multireference Rayleigh-Schrodinger-like perturbation theory. It is shown that multireference many-body Brillouin-Wigner perturbation theory when restricted to second-order is a true many-body theory, that is, it is a theory, which has the property of extensivity. (c) 2007 Wiley Periodicals, Inc. (en)
Title
  • Many-body Brillouin-Wigner second-order perturbation theory: A robust and efficient approach to the multireference correlation problem
  • Mnohočasticová Brillouin-Wignerova poruchová teória druhého rádu. Robustný a účinný nastroj na štúdium multireferenčného korelačného problému (cs)
  • Many-body Brillouin-Wigner second-order perturbation theory: A robust and efficient approach to the multireference correlation problem (en)
skos:prefLabel
  • Many-body Brillouin-Wigner second-order perturbation theory: A robust and efficient approach to the multireference correlation problem
  • Mnohočasticová Brillouin-Wignerova poruchová teória druhého rádu. Robustný a účinný nastroj na štúdium multireferenčného korelačného problému (cs)
  • Many-body Brillouin-Wigner second-order perturbation theory: A robust and efficient approach to the multireference correlation problem (en)
skos:notation
  • RIV/47813059:19240/07:#0001984!RIV09-MSM-19240___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • S
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...dnocenehoVysledku
  • 431935
http://linked.open...ai/riv/idVysledku
  • RIV/47813059:19240/07:#0001984
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • electron correlation, multireference, perturbation theory, Brillouin-Wigner, second-order (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...ontrolniKodProRIV
  • [3FABB8EE111F]
http://linked.open...v/mistoKonaniAkce
  • St Petersburg, RUSSIA
http://linked.open...i/riv/mistoVydani
  • USA
http://linked.open...i/riv/nazevZdroje
  • INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
http://linked.open...in/vavai/riv/obor
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http://linked.open...cetTvurcuVysledku
http://linked.open...UplatneniVysledku
http://linked.open...iv/tvurceVysledku
  • Hubač, Ivan
http://linked.open...vavai/riv/typAkce
http://linked.open...ain/vavai/riv/wos
  • 000250116900007
http://linked.open.../riv/zahajeniAkce
issn
  • 0020-7608
number of pages
http://purl.org/ne...btex#hasPublisher
  • JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA
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  • 19240
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