Pseudopotential calculations on Rb+2, Cs+2, RbH+, CsH+ and the mixed alkali dimer ions |
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| Authors: | László von Szentpály Patricio Fuentealba Heinzwerner Preuss Hermann Stoll |
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| Institution: | Institut für Theoretische Chemie, Universität Stuttgart, D-7000 Stuttgart 80, FRG |
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| Abstract: | Semi-empirical pseudopotentials are used in calculating the ground-state potentials curves for single valence-electron molecular ions. Very accurate results are obtained and a number of predictions given. The ionization energies of the neutral dimers are evaluated. A spectroscopic rule enables us to estimate the A 1Σ+ state of KRb and RbCs. |
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