GENERALIZED PRODUCT FUNCTIONS - ENERGY ANALYTIC DERIVATIVES - THE VARIATIONAL THEORY OF SUBSYSTEMS AS A GUIDE FOR SOLVATION MODELS

Authors
BOFILL JM
Citation
Jm. Bofill, GENERALIZED PRODUCT FUNCTIONS - ENERGY ANALYTIC DERIVATIVES - THE VARIATIONAL THEORY OF SUBSYSTEMS AS A GUIDE FOR SOLVATION MODELS, Journal of molecular structure. Theochem, 371, 1996, pp. 45-50
Citations number
18
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
371
Year of publication
1996
Pages
45 - 50
Database
ISI
SICI code
0166-1280(1996)371:<45:GPF-EA>2.0.ZU;2-D
Abstract
The analytic energy derivatives for the Hartree-Fock generalized produ ct functions are presented. The results of the present theoretical mod el are analyzed and compared with the discrete-continuous cavity model for the treatment of solvation problems.