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
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].