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Vibrational close coupling in the discrete basis set theory of electron-molecule scattering
Authors:Uzi Kaldor
Affiliation:Department of Chemistry, Tel-Aviv University, Tel-Aviv, Israel
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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