Complete active space self-consistent field and multireference configuration interaction studies of the low-lying excited states of the ClO-H2O radical complex

Authors
Li, YM Francisco, JS
Citation
Ym. Li et Js. Francisco, Complete active space self-consistent field and multireference configuration interaction studies of the low-lying excited states of the ClO-H2O radical complex, J CHEM PHYS, 115(18), 2001, pp. 8381-8383
Citations number
15
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
115
Issue
18
Year of publication
2001
Pages
8381 - 8383
Database
ISI
SICI code
0021-9606(200111)115:18<8381:CASSFA>2.0.ZU;2-D
Abstract
The vertical excited states for the three lowest excited states of the ClO- H2O radical complex are calculated with complete active space self-consiste nt field and multireference configuration interaction and methods. A new st ate unique to the complex is reported. (C) 2001 American Institute of Physi cs.