Reduced potential energy curves for diatomic molecules and their respective cations

Citation
R. Abrol et al., Reduced potential energy curves for diatomic molecules and their respective cations, CHEM P LETT, 312(2-4), 1999, pp. 341-345
Citations number
13
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
312
Issue
2-4
Year of publication
1999
Pages
341 - 345
Database
ISI
SICI code
0009-2614(19991022)312:2-4<341:RPECFD>2.0.ZU;2-T
Abstract
It is shown that the reduced potential energy curve for a diatomic molecule and its cation are nearly identical, particularly near the minimum, implyi ng that the force constant in reduced variables is nearly the same for the two species. An explanation is given in terms of scaling of the valence-ele ctron wavefunction with respect to the nuclear coordinates. (C) 1999 Elsevi er Science B.V. All rights reserved.