Journal of Physics B Atomic and Molecular Physics · 1975 · 19 citations · 8 references
Natural SciencesChemistryPhysicsNuclear PhysicsPhysical ChemistryTheoretical ChemistryAb Initio MethodsAtomic CollisionsCollision TheoryMolecular Orbital TheoryAb Initio CalculationsAtom-atom CollisionsAtom-molecule CollisionsCollision Cross SectionsElectron-ion Collision DynamicsHigh-energy Collision DynamicsIon-molecule CollisionsRotational Coupling
Within the frame of the Fano-Lichten model two mechanisms are possible for the production of 2s holes in Ne+-Ne collisions. The first mechanism is a rotational coupling between two crossing molecular orbitals. The second is a radial coupling between two molecular orbitals with a pseudo-crossing. Using ab initio wavefunctions the appropriate coupling matrix elements are calculated and used in two-state impact-parameter approximations. The magnitude of the measured cross sections for energies up to 300 keV can be explained within this model.
8
Gaussian-Type Functions for Polyatomic Systems. II
Sigeru Huzinaga, Yoshiko Sakai · The Journal of Chemical Physics · 1969 · 3.2K citations
Natural Sciences, Chemistry, Physics +15
Molecular Wave Functions and Inelastic Atomic Collisions
William Lichten · Physical Review · 1967 · 530 citations