Journal of Physics B Atomic and Molecular Physics · 1974 · 95 citations · 4 references
Natural SciencesChemistryPhysicsQuantum ChemistryRecombinationTheoretical ChemistryAb Initio MethodsConfiguration InteractionDensity Functional TheoryMolecular Energy LevelsMolecular Orbital TheoryMolecular Quantum MechanicsDissociative Recombination
The energies and widths of a number of autoionizing states of the hydrogen molecule have been calculated using projection operator techniques with large configuration interaction wavefunctions. Preliminary calculations on the dissociative recombination of H2+ are in good agreement with experiment.
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