Photoionization of molecular hydrogen
- 1 September 1978
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 69 (5), 2126-2142
- https://doi.org/10.1063/1.436813
Abstract
A theoretical formulation of diatomic photoionization is given in terms of an entirely body‐frame Hund’s case b description. Within this formalism, the electronic wavefunctions for both the bound initial state and the free final state of photoionization are described with conventional configuration interaction wavefunctions expanded in a Gaussian basis. The Stieltjes imaging procedure is used to recover the continuum oscillator strength from the discrete eigenspectrum. The continuum oscillator strength is combined with variationally determined vibrational wavefunctions to yield model photoelectron spectra, specific v–v ionization cross sections, a photoion kinetic energy spectrum, dissociative ionization spectra, and a total photoionization spectrum. For a series of photon energies near threshold, cross sections from these calculations are compared with previous theoretical results and with recent experimental measurements.Keywords
This publication has 62 references indexed in Scilit:
- Cross Sections for Photoionization of Vibrationally Excited Molecular HydrogenThe Astrophysical Journal, 1975
- Stieltjes imaging of photoabsorption and dispersion profilesThe Journal of Chemical Physics, 1974
- Comment on continuity at the dissociation threshold in molecular absorptionThe Journal of Chemical Physics, 1973
- Photoionization and Autoionization of H2The Journal of Chemical Physics, 1972
- Theoretical Investigation of the Transition Probabilities in the Hydrogen MoleculeThe Journal of Chemical Physics, 1969
- Vibration–Rotation Interaction Effects in Calculated Franck–Condon Factors. I. The Ionization of H2 and D2The Journal of Chemical Physics, 1968
- Photoionization of the helium atomProceedings of the Physical Society, 1967
- Potential-Energy Curve for the B 1Σu+ State of the Hydrogen MoleculeThe Journal of Chemical Physics, 1966
- The photoionization of the hydrogen molecule from the ground electronic and vibrational stateProceedings of the Physical Society, 1965
- Photoionization Efficiencies and Cross Sections in , , C, A, O, , and CPhysical Review B, 1955