A posteriori corrections to multireference limited configuration interaction based on a Brillouin-Wigner perturbative analysis

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F47813059%3A19240%2F02%3A%230001979" target="_blank" >RIV/47813059:19240/02:#0001979 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
A posteriori corrections to multireference limited configuration interaction based on a Brillouin-Wigner perturbative analysis
Original language description
A new a posteriori correction to the method of limited configuration interaction is described that attempts to restore a linear scaling with particle number. The corrections are based on an analysis of the limited configuration interaction method in terms of the Brillouin-Wigner perturbation theory using a Lippmann-Schwinger-like equation. The new correction procedure is general and, in this work, the application to the limited multireference configuration interaction approximation is considered in somedetail. An illustrative application to the rigid rotation of the diimine molecule is presented and the results are compared with those obtained by employing Davidson-like corrections and the corresponding full configuration interaction energies. (C) 2002 Wiley Periodicals, Inc.
Czech name
A posteriori korekcie pre multireferenčnú metódu konfiguračnej interakcie študované na báze Brillouin-Wignerovej poruchovej analýze
Czech description
A posteriori korekcie pre obmedzenu metódu konfiguračnej interakcie sú študované. Ilustračné príklady ich použitia sú tiež prezentované

Publication year
2002
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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