Analysis of exchange energy at long range for states of alkali diatomic molecules correlating to two ground state atoms

Citation
Wt. Zemke et Wc. Stwalley, Analysis of exchange energy at long range for states of alkali diatomic molecules correlating to two ground state atoms, J CHEM PHYS, 111(11), 1999, pp. 4962-4965
Citations number
25
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
11
Year of publication
1999
Pages
4962 - 4965
Database
ISI
SICI code
0021-9606(19990915)111:11<4962:AOEEAL>2.0.ZU;2-K
Abstract
Recently experimentally-based asymptotic exchange energies Delta V-E betwee n ground state atoms in Li-2, Na-2, K-2, and NaK have been determined from spectroscopically-determined potential energy curves. These empirical resul ts are shown to be well fit by the expression -CR(alpha)e(-beta R) of Smirn ov and Chibisov, where C is a positive constant and alpha and beta can be r eadily calculated from the atomic ionization energies. The expression shoul d be useful for estimating the exchange energy in other alkali dimers. (C) 1999 American Institute of Physics. [S0021-9606(99)30335-4].