THE HYPERPOLARIZABILITY OF MOLECULAR-OXYGEN

Authors
LUO Y AGREN H MINAEV B JORGENSEN P
Citation
Y. Luo et al., THE HYPERPOLARIZABILITY OF MOLECULAR-OXYGEN, Journal of molecular structure. Theochem, 336(1), 1995, pp. 61-67
Citations number
19
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
336
Issue
1
Year of publication
1995
Pages
61 - 67
Database
ISI
SICI code
0166-1280(1995)336:1<61:THOM>2.0.ZU;2-R
Abstract
The static- and frequency-dependent dipole second hyperpolarizabilitie s gamma of O-2 are calculated by means of quadratic response theory an d multi-configuration self-consistent field wavefunctions. It is demon strated that the O-2 molecule presents some unusual and difficult feat ures in the description of its hyperpolarizability, which can be deriv ed from the extreme role of electron correlation.