Brillouin-Wigner Expansions in Quantum Chemistry: Bloch-Like and Lippmann-Schwinger-Like Equations.

Result code in IS VaVaI
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Result language
angličtina
Original language name
Brillouin-Wigner Expansions in Quantum Chemistry: Bloch-Like and Lippmann-Schwinger-Like Equations.
Original language description
Some recent progress on the application of Brillouin-Wigner expansions in quantum chemistry is reviewed. Brillouin-Wigner perturbation theory is used to obtained both a Bloch-type equation and a Lippmann-Schwinger-type equation in Brillouin-Wigner form.Both the single reference and the multireference formulation of the expansion are considered. The Bloch-like equation together with the Lippmann-Schwinger-like equation can be used to derive a Brillouin-Wigner coupled cluster (BWCC) expansion whilst theLippmann-Schwinger-like equation can be used twice to cast the configuration interaction expansion in Brillouin-Wigner form (BWCI). By exploiting an identity relating the Brillouin-Wigner denominator to the Rayleigh-Schrödinger denominator, a posterioricorrections to the multireference Brillouin-Wigner coupled cluster theory and to the limited multireference configuration method are defined. A brief survey of applications is made.
Czech name
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Czech description
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2003
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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