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

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1979

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Ohio State University

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The valence structure of the lowest 1Σ+ states of KH, RbH, and CsH have been computed by a configuration Interaction method using effective core potentials. The core potentials of Kahn and coworkers1 were modified to have the proper long-range behavior2 and Include the effect of core polarization. The potential curves for the X1Σ+ and A1Σ+ stales agree with measured values generally to within 0.1 eV. Also, the A1Σ+X1Σ+ transition moments of CsH compare favorably with the results of laser-excited fluorescence experiments.3

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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)


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