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@inproceedings{46161,
author = {Hubač, Ivan},
address = {USA},
booktitle = {INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY},
doi = {http://dx.doi.org/10.1002/qua.21514},
keywords = {electron correlation, multireference, perturbation theory, Brillouin-Wigner, second-order},
language = {eng},
location = {USA},
publisher = {JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA},
title = {Many-body Brillouin-Wigner second-order perturbation theory: A robust and efficient approach to the multireference correlation problem},
year = {2007}
}
TY - JOUR
ID - 46161
AU - Hubač, Ivan
PY - 2007
TI - Many-body Brillouin-Wigner second-order perturbation theory: A robust and efficient approach to the multireference correlation problem
PB - JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA
CY - USA
KW - electron correlation, multireference, perturbation theory, Brillouin-Wigner, second-order
N2 - 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.
ER -
HUBAČ, Ivan. Many-body Brillouin-Wigner second-order perturbation theory: A robust and efficient approach to the multireference correlation problem. In \textit{INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY}. USA: JOHN WILEY \&{} SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA, 2007, 10 s. ISSN~0020-7608. Dostupné z: https://dx.doi.org/10.1002/qua.21514.
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