Brillouin-Wigner Expansions in Quantum Chemistry: Bloch-Like and Lippmann-Schwinger-Like Equations
Identifieur interne : 001679 ( Istex/Curation ); précédent : 001678; suivant : 001680Brillouin-Wigner Expansions in Quantum Chemistry: Bloch-Like and Lippmann-Schwinger-Like Equations
Auteurs : S. Wilson [Royaume-Uni] ; I. Huba [Slovaquie] ; P. Mach [Slovaquie] ; J. Pittner [République tchèque] ; P. Rsky [République tchèque]Source :
- Progress in Theoretical Chemistry and Physics [ 1567-7354 ]
Abstract
Abstract: Some recent progress on the application of Brillouin-Wigner expansions in quantum chemistry is reviewed. Brillouin-Wigner perturbation theory is used to obtain both a Bloeh-like equation and a Lippmann-Schwinger-like 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 the Lippmann-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-Schrodinger denominator, a posteriori corrections to the multireference Brillouin-Wigner coupled cluster theory and to the limited multireference configuration method are defined. A brief survey of applications is made.
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DOI: 10.1007/978-94-017-0635-3_5
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<front><div type="abstract" xml:lang="en">Abstract: Some recent progress on the application of Brillouin-Wigner expansions in quantum chemistry is reviewed. Brillouin-Wigner perturbation theory is used to obtain both a Bloeh-like equation and a Lippmann-Schwinger-like 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 the Lippmann-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-Schrodinger denominator, a posteriori corrections to the multireference Brillouin-Wigner coupled cluster theory and to the limited multireference configuration method are defined. A brief survey of applications is made.</div>
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