Collision Matrix Elements near a Pseudocrossing of Potential Energy Curves
- 1 November 1972
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 57 (9) , 3899-3904
- https://doi.org/10.1063/1.1678860
Abstract
The behavior of the matrix element of the collision operator, d/dR, between adiabatic states with variations in R, the internuclear separation, is studied qualitatively for diatomic molecules. These matrix elements often have a maximum or a zero near the pseudocrossing of the two adiabatic potential energy curves. Effects of these extremes of behavior on cross sections are considered and limits on the validity of approximations which use R‐independent orbitals are developed. Finally, the effect of a second pseudocrossing on these matrix elements is analyzed.Keywords
This publication has 9 references indexed in Scilit:
- Non resonant charge-capture: Na++Li to or from Na+Li+Journal of Physics B: Atomic and Molecular Physics, 1972
- Simple Expression for the Off-Diagonal Matrix Elements of the d/dR Operator between Exact Electronic States of a Diatomic MoleculeThe Journal of Chemical Physics, 1971
- Ion–Ion Recombination Total Cross Sections—Atomic SpeciesThe Journal of Chemical Physics, 1970
- Dynamic Coupling Phenomena in Molecular Excited States. I. General Formulation and Vibronic CouplingPhysical Review A, 1970
- Collisions involving the crossing of potential energy curvesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1960
- Interaction of Vibrational and Electronic Motion in Alkali Halide MoleculesThe Journal of Chemical Physics, 1957
- Inelastic Heavy Particle Collisions involving the Crossing of Potential Energy Curves IV. Ionic RecombinationProceedings of the Physical Society. Section A, 1956
- Inelastic Heavy Particle Collisions Involving the Crossing of Potential Energy Curves III: Charge Transfer from Negative Ions of Atomic Hydrogen to ProtonsProceedings of the Physical Society. Section A, 1955
- Inelastic Heavy-Particle Collisions Involving the Crossing of Potential Energy Curves II: Charge Transfer from H-atoms to Al3+, B2+, Li2+and Al2+Proceedings of the Physical Society. Section A, 1954