New procedure for generating valence and Rydberg orbitals |
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Authors: | Inmaculada Martin Gary Simons |
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Institution: | 1. Departamento de Quimica Fisica , Universidad de Valladolid , Valladolid , Spain;2. Department of Chemistry , Wichita State University , Wichita , Kansas , 67208 , U.S.A. |
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Abstract: | A previously proposed procedure for generating approximate valence, Rydberg, and continuum orbitals from spectral data is extended to two-valence electron systems. Oscillator strengths and photoionization cross sections are reported for the respective 1s22s2 →1s22s np and 1s22s2→1s22s ep transitions of Be, B+, C++, N+++, 0+4, Ne+6, Mg+8, Al+9, and Si+10. Comparisons show a high level of agreement with Hartree-Fock oscillator strengths, but the accuracy of the cross sections is uncertain. |
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