Numerical calculation of diatomic transition operators: The variable-phase and -amplitude method |
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| Authors: | LH Beard DA Micha |
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| Institution: | Quantum Theory Project, Department of Chemistry and Physics, University of Florida, Gainesville, Florida 32611, USA |
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| Abstract: | The variable-phase method is extended to calculate two-atom off-the-energy shell t-matrix elements. A study is presented of the off-shell wavefunctions and t-matrix elements of the HH pair, for both the lowest 1Σ and 3Σ interaction potentials. |
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