Vibrational close coupling in the discrete basis set theory of electron-molecule scattering |
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Authors: | Uzi Kaldor |
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Affiliation: | Department of Chemistry, Tel-Aviv University, Tel-Aviv, Israel |
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Abstract: | The theory of low-energy electron-molecule scattering by T-matrix expansion in L2 basis orbitals is generalized to include coupling with molecular vibration. A mixed basis set of scattered-electron orbitals and vibrational functions is used. The resulting integrals are shown to be only marginally more difficult than in adiabatic-nuclei theory. Possible shortcuts in the matrix inversion involved are discussed. |
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