ENERGY SWITCHING APPROACH TO POTENTIAL SURFACES - III - 3-VALUED FUNCTION FOR THE WATER MOLECULE

Authors
VARANDAS AJC VORONIN AI CARIDADE PJSB
Citation
Ajc. Varandas et al., ENERGY SWITCHING APPROACH TO POTENTIAL SURFACES - III - 3-VALUED FUNCTION FOR THE WATER MOLECULE, The Journal of chemical physics, 108(18), 1998, pp. 7623-7630
Citations number
26
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
108
Issue
18
Year of publication
1998
Pages
7623 - 7630
Database
ISI
SICI code
0021-9606(1998)108:18<7623:ESATPS>2.0.ZU;2-#
Abstract
A recently proposed two-valued energy switching potential energy surfa ce for the water molecule [J. Chem. Phys. 107, 867 (1997)] is modified to incorporate the proper dissociation limits in all channels pertain ing to the first excited (1)A' electronic state, in addition to those of the ground state. A brief analysis of the loci of conical intersect ions is also presented. (C) 1998 American Institute of Physics.