Journal of Physics B Atomic and Molecular Physics · 1985 · 39 citations · 32 references
Natural SciencesChemistryPhysicsPhysical ChemistryQuantum ChemistryTheoretical ChemistryAb Initio MethodsCharge Transfer ReactionsMolecular Orbital Theory
Multistate quasiclassical close-coupling calculations which employ adiabatic molecular data and a common electron translation factor for the lightest alkali-alkali-cation systems show systematic differences with available experimental results for charge transfer at intermediate energies. This indicates the importance of excitational charge transfer which was ignored in most previous theoretical work. The authors discuss the translation factor approach for different sorts of interstate coupling, and comment on the accuracy of the available molecular data for these systems.
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W. Müller, Wilfried Meyer · The Journal of Chemical Physics · 1984 · 318 citations
Natural Sciences, Chemistry, Physics +15