L2-basis-set theory of electron-molecule scattering with vibrational and rotational coupling

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Abstract

Matrix equations for electron-molecule scattering including vibrational and rotational coupling are derived in the framework of the T-matrix expansion in discrete basis sets. The basis functions employed are products of scattered-electron orbitals with vibrational or rotational functions. The matrix elements are only marginally more difficult to calculate than in the adiabatic-nuclei version. It is expected that the implementation of the formalism for vibrational or rotational coupling (though possibly not both) is quite feasible.

Original languageEnglish
Pages (from-to)105-110
Number of pages6
JournalPhysical Review A
Volume19
Issue number1
DOIs
StatePublished - 1979

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