Electronic transition dipole moment functions and difference potentials for transitions among low-lying states of Li2 and Na2 |
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Authors: | Daniel D. Konowalow Marcy E. Rosenkrantz David S. Hochhauser |
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Affiliation: | Department of Chemistry, State University of New York at Binghamton, Binghamtom, New York 13901 USA |
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Abstract: | Electronic transition dipole moment functions based on ab initio multiconfiguration self-consistent field wavefunctions are computed for the transitions 1Σu+-1Σg+, 3Σg+-3Σu+, 1Πu-1Σg+, 3Πg-3Σu+, 1Σu+-1Πg, 3Σg+-3Πu, 1Πu-1Πg, and 3Πg-3Πu in Li2 and Na2. (In each case the states are the lowest lying of their symmetry.) We also calculate the matrix element 〈3Σu+|i(Lx - iLy)|3Πu〉 for the predissociation of the 3Πu state by the 3Σu+ state. Several unobserved spectral features are predicted. |
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