Computing a molecule in its environment: A mathematical viewpoint

Citation
M. Defranceschi et C. Le Bris, Computing a molecule in its environment: A mathematical viewpoint, INT J QUANT, 71(3), 1999, pp. 227-250
Citations number
172
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
ISSN journal
00207608 → ACNP
Volume
71
Issue
3
Year of publication
1999
Pages
227 - 250
Database
ISI
SICI code
0020-7608(19990120)71:3<227:CAMIIE>2.0.ZU;2-0
Abstract
This article is the sequel of a previous survey where we presented the math ematical results rigorously known on the models used in quantum chemistry t o simulate an isolated molecular system. The emphasis here is on the models that take into account the environment of the molecule, namely, the models of the condensed phase and the models of interaction with electromagnetic fields. Some related issues are also dealt with. A bibliography of more tha n 150 references are provided. (C) 1999 John Wiley & Sons, Inc.