PATH-INTEGRALS SEMICLASSICAL QUANTIFICATION

Authors
Citation
J. Maranon, PATH-INTEGRALS SEMICLASSICAL QUANTIFICATION, International journal of quantum chemistry, 52(3), 1994, pp. 609-616
Citations number
19
Categorie Soggetti
Chemistry Physical
ISSN journal
00207608
Volume
52
Issue
3
Year of publication
1994
Pages
609 - 616
Database
ISI
SICI code
0020-7608(1994)52:3<609:PSQ>2.0.ZU;2-D
Abstract
We discuss hem a new formal way to evaluate the electronic correlation energy of a molecular system. We use the path integral formalism in t he regime of the molecular orbitals. The semiclassical approximation i n this procedure is an expansion of the effective action S(eff) around the classical closed orbits into generalized phase space keeping only the quadratic fluctuation. Thus, after some transformations, we apply to the final expression analogous conditions to the Bohr-Sommerfeld q uantification rules. (c) 1994 John Wiley & Sons, Inc.