Many-body Brillouin-Wigner second-order perturbation theory: A robust and efficient approach to the multireference correlation problem
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F47813059%3A19240%2F07%3A%230001984" target="_blank" >RIV/47813059:19240/07:#0001984 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Many-body Brillouin-Wigner second-order perturbation theory: A robust and efficient approach to the multireference correlation problem
Original language description
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.
Czech name
Mnohočasticová Brillouin-Wignerova poruchová teória druhého rádu. Robustný a účinný nastroj na štúdium multireferenčného korelačného problému
Czech description
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 multireferenčnejstavovošpecifickej MP2 metódy.
Classification
Type
D - Article in proceedings
CEP classification
BE - Theoretical physics
OECD FORD branch
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Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach
Others
Publication year
2007
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Article name in the collection
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
ISBN
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ISSN
0020-7608
e-ISSN
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Number of pages
10
Pages from-to
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Publisher name
JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA
Place of publication
USA
Event location
St Petersburg, RUSSIA
Event date
Jan 1, 2006
Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
000250116900007