NONLINEAR-OPTICAL RESPONSE OF MOLECULES IN A NONEQUILIBRIUM SOLVATIONMODEL

Authors
SYLVESTERHVID KO MIKKELSEN KV JONSSON D NORMAN P AGREN H
Citation
Ko. Sylvesterhvid et al., NONLINEAR-OPTICAL RESPONSE OF MOLECULES IN A NONEQUILIBRIUM SOLVATIONMODEL, The Journal of chemical physics, 109(13), 1998, pp. 5576-5584
Citations number
29
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
109
Issue
13
Year of publication
1998
Pages
5576 - 5584
Database
ISI
SICI code
0021-9606(1998)109:13<5576:NROMIA>2.0.ZU;2-R
Abstract
The response equations governing nonequilibrium solvation in the conti nuum approach are derived and implemented for second order in response theory. Applications to a simple benchmark system consisting of a sol vated water molecule are presented. We consider the role of nonequilib rium solvent configurations on the first hyperpolarizability. Effects of solvation parameters, such as optical and static dielectric constan ts, and frequency dispersion are discussed. (C) 1998 American Institut e of Physics. [S0021-9606(98)51116-6]