ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
We discuss here a new formal way to evaluate the electronic correlation energy of a molecular system. We use the path integral formalism in the regime of the molecular orbitals. The semiclassical approximation in this procedure is an expansion of the effective action Seff 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 quantification rules. © 1994 John Wiley & Sons, Inc.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560520304
