A SIMPLE METHOD FOR DETERMINING APPROXIMATE STATIC AND DYNAMIC VIBRATIONAL HYPERPOLARIZABILITIES

Authors
BISHOP DM HASAN M KIRTMAN B
Citation
Dm. Bishop et al., A SIMPLE METHOD FOR DETERMINING APPROXIMATE STATIC AND DYNAMIC VIBRATIONAL HYPERPOLARIZABILITIES, The Journal of chemical physics, 103(10), 1995, pp. 4157-4159
Citations number
22
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
103
Issue
10
Year of publication
1995
Pages
4157 - 4159
Database
ISI
SICI code
0021-9606(1995)103:10<4157:ASMFDA>2.0.ZU;2-L
Abstract
A simple method is presented for calculating approximate static and dy namic vibrational hyperpolarizabilities. It involves determining elect rical properties in the presence of a static field with and without ge ometry optimization. This method is readily applicable to all tenser c omponents of a general polyatomic molecule. (C) 1995 American Institut e of Physics.