Accurate Hartree-Fock vibrational branching ratios in 3σgphotoionisation of N2
- 28 October 1981
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 14 (20), L629-L634
- https://doi.org/10.1088/0022-3700/14/20/003
Abstract
The authors report vibrational branching ratios for resonant photoionisation of N2 leading to the X2 Sigma g+ state of N2+. Their theoretical values are obtained from an accurate solution of the adiabatic-nuclei frozen-core Hartree-Fock model of molecular photoionisation. In contrast to other theoretical results the present results are in very good agreement with experimental measurements. Differences between the present and previous calculations are discussed.Keywords
This publication has 10 references indexed in Scilit:
- Iterative approach to the Schwinger variational principle applied to electron—molecular-ion collisionsPhysical Review A, 1981
- Iterative approach to the Schwinger variational principle for electron-molecule collisionsPhysical Review A, 1980
- Partial photoionization cross section and photoelectron angular distribution for the X 2Σg+ state of N2+ in the static-exchange approximationThe Journal of Chemical Physics, 1980
- Shape-resonance-induced non-Franck-Condon vibrational intensities in 3 σgphotoionisation of N2Journal of Physics B: Atomic and Molecular Physics, 1980
- Application of the Schwinger variational principle to electron-ion scattering in the static-exchange approximationPhysical Review A, 1980
- Shape-Resonance-Enhanced Nuclear-Motion Effects in Molecular PhotoionizationPhysical Review Letters, 1979
- Gaussian Basis Functions for Use in Molecular Calculations. IV. The Representation of Polarization Functions for the First Row Atoms and HydrogenThe Journal of Chemical Physics, 1971
- Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row AtomsThe Journal of Chemical Physics, 1970
- Potential-energy curves for O2+, N2+, and CO+Journal of Molecular Spectroscopy, 1966
- Potential Curves for the Observed States of N_{2} Below 11 eV.The Astrophysical Journal, 1965