Vibrational close coupling in the discrete basis set theory of electron-molecule scattering

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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.

Original languageEnglish
Pages (from-to)509-511
Number of pages3
JournalChemical Physics Letters
Volume58
Issue number4
DOIs
StatePublished - 1978

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