AB-INITIO STUDY OF THE POTENTIAL-ENERGY SURFACES OF DOUBLET VALENCE AND RYDBERG STATES OF FCO

Authors
KROSSNER T ZULICKE L VETTER R PERIC M PEYERIMHOFF SD
Citation
T. Krossner et al., AB-INITIO STUDY OF THE POTENTIAL-ENERGY SURFACES OF DOUBLET VALENCE AND RYDBERG STATES OF FCO, The Journal of chemical physics, 101(5), 1994, pp. 3973-3980
Citations number
23
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
101
Issue
5
Year of publication
1994
Pages
3973 - 3980
Database
ISI
SICI code
0021-9606(1994)101:5<3973:ASOTPS>2.0.ZU;2-Z
Abstract
Multireference configuration interaction calculations (MRD-CI) were ca rried out in order to obtain the bending and stretching potential ener gy curves of several low-lying electronic states of the fluoroformyl r adical FCO. The study of interactions between valence and Rydberg stat es as well as that of the dissociative behavior is included in the inv estigation.