PATH-INTEGRALS FORMULATION OF THE MOLECULAR-SOLVENT EFFECTS

Authors
MARANON J
Citation
J. Maranon, PATH-INTEGRALS FORMULATION OF THE MOLECULAR-SOLVENT EFFECTS, Journal of mathematical chemistry, 16(1-2), 1994, pp. 19-26
Citations number
16
Categorie Soggetti
Chemistry,Mathematics
Journal title
Journal of mathematical chemistry → ACNP
ISSN journal
02599791
Volume
16
Issue
1-2
Year of publication
1994
Pages
19 - 26
Database
ISI
SICI code
0259-9791(1994)16:1-2<19:PFOTME>2.0.ZU;2-1
Abstract
With the formalism of the path-integral into molecular-orbital theory, we introduce the quatum fluctuation into the molecular ground state. As a consequence, a non-linear formulation of the molecular orbitals i s obtained. Then, we connect the non-linear term of the effective Hami ltonian with the solvent effects of the environment surrounding the mo lecular system, and explain this mechanism.