AB-INITIO STUDY OF THE POTENTIAL-ENERGY SURFACES FOR THE VALENCE AND RYDBERG DOUBLET ELECTRONIC STATES OF HNF

Authors
FANG WH PERIC M PEYERIMHOFF SD
Citation
Wh. Fang et al., AB-INITIO STUDY OF THE POTENTIAL-ENERGY SURFACES FOR THE VALENCE AND RYDBERG DOUBLET ELECTRONIC STATES OF HNF, Chemical physics, 223(2-3), 1997, pp. 119-129
Citations number
23
Journal title
Chemical physics → ACNP
ISSN journal
03010104
Volume
223
Issue
2-3
Year of publication
1997
Pages
119 - 129
Database
ISI
SICI code
0301-0104(1997)223:2-3<119:ASOTPS>2.0.ZU;2-W
Abstract
Results of large-scale configuration interaction calculations of the b ending and N-F stretching potential curves for the low-lying doublet e lectronic states of HNF are presented. Special attention is paid to th e investigation on valence and Rydberg character of the electronic sta tes as well as the dissociation of HNF into NH and F atom. (C) 1997 El sevier Science B.V.