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Oscillator Strength Calculations with the Compromised Orbitals
Authors:Tse-Chiang Chang  Shing-Yih Chen
Abstract:The oscillator strength has been calculated from a common set of compromised orbitals, instead of sets of the two separately optimized non-orthogonal orbitals for the two states involved in the transition. Inaccuracies of two types arose from the calculations were assessed by investigating simple atomic and molecular systems.
Keywords:Oscillator strength  Transition energies  Molecular orbitals
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