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Path integral's semiclassical quantification
Author(s) -
Marañtón Julio
Publication year - 1994
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560520304
Subject(s) - semiclassical physics , path integral formulation , formalism (music) , bohr model , quadratic equation , atomic orbital , phase space , physics , action (physics) , expression (computer science) , quantum mechanics , classical mechanics , mathematical physics , statistical physics , mathematics , quantum , geometry , computer science , art , musical , visual arts , programming language , electron
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 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 quantification rules. © 1994 John Wiley & Sons, Inc.