THE $^{1}\Sigma^{+}$ STATES OF HEAVY ALKALI HYDRIDES

Abstract

$^{1}$ L. R. Kahn and W. A. Goddard, J. Chem. Phys., 56, 2685 (1972). $^{2}$ J. R. Stallcop, submitted for publication. $^{3}$ A. C. Tam and W. Happer, J. Chem. Phys. 64, 2456 (1978)Author Institution:The valence structure of the lowest $^{1}\Sigma^{+}$ states of KH, RbH, and CsH have been computed by a configuration Interaction method using effective core potentials. The core potentials of Kahn and $co-workers^{1}$ were modified to have the proper long-range $behavior^{2}$ and Include the effect of core polarization. The potential curves for the $X^{1}\Sigma^{+}$ and $A^{1}\Sigma^{+}$ stales agree with measured values generally to within 0.1 eV. Also, the $A^{1}\Sigma^{+}-X^{1}\Sigma^{+}$ transition moments of CsH compare favorably with the results of laser-excited fluorescence $experiments.^{3}