Journal of Physics B Atomic Molecular and Optical Physics · 1993 · 77 citations · 24 references
Natural SciencesChemistryPhysicsComputational ChemistryQuantum ChemistrySpectroscopyAb Initio MethodsConfiguration InteractionElectronic Excited StatesElectronic StructureMolecular Excited StatesMolecular Orbital TheoryConfiguration Interaction ExpansionElectron-impact ExcitationExcitation Cross SectionsExcited Electronic StatesExcited StatesExcited-state Electronic StructureResonanceResonance Structures
The R-matrix method has been used to calculate electron impact excitation cross sections for the lowest seven electronically excited states of CO in the energy range 6-18 eV. These states are represented using configuration interaction (CI) expansions and an algorithm for treating long CI expansions in scattering calculations is presented. The calculations are carried out for a range of internuclear distances 1.8 less-than-or-equal-to R less-than-or-equal-to 3.0 a0. Several new resonance structures are identified. Good agreement is obtained with the recent experimental results of Furlong and Newell for the excitation of the a 3PI state.
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