Detailed Information on Publication Record
2007
Many-body Brillouin-Wigner second-order perturbation theory: A robust and efficient approach to the multireference correlation problem
HUBAČ, IvanBasic information
Original name
Many-body Brillouin-Wigner second-order perturbation theory: A robust and efficient approach to the multireference correlation problem
Authors
Edition
USA, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 10 pp. 2007
Publisher
JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA
Other information
Language
English
Type of outcome
Stať ve sborníku
Field of Study
10301 Atomic, molecular and chemical physics
Confidentiality degree
není předmětem státního či obchodního tajemství
Organization unit
Faculty of Philosophy and Science in Opava
ISSN
UT WoS
000250116900007
Keywords in English
electron correlation, multireference, perturbation theory, Brillouin-Wigner, second-order
Tags
International impact, Reviewed
Změněno: 27/1/2021 14:39, Mgr. Pavlína Jalůvková
Abstract
V originále
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.