Separated-channel static-exchange calculations of the photoionisation of the 1πgorbital of O2
- 1 January 1982
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 15 (2), L37-L39
- https://doi.org/10.1088/0022-3700/15/2/001
Abstract
A calculation of the photoionisation cross section of the 1 pi g orbital of molecular oxygen using the separated-channel static-exchange approximations and a large, flexible Gaussian basis, is excellent agreement with experimental measurements, in contrast to a previous calculation.Keywords
This publication has 8 references indexed in Scilit:
- Stieltjes-Tchebycheff calculations in the static-exchange approximation of photoexcitation and ionisation in waterJournal of Physics B: Atomic and Molecular Physics, 1981
- Partial photoionization cross sections of molecular oxygenChemical Physics Letters, 1980
- Photoexcitation and ionization in molecular fluorine: Stieltjes–Tchebycheff calculations in the static-exchange approximationThe Journal of Chemical Physics, 1980
- Photoexcitation and ionization in molecular oxygen: Theoretical studies of electronic transitions in the discrete and continuous spectral intervalsThe Journal of Chemical Physics, 1980
- Photoabsorption in H2O: Stieltjes-Tchebycheff calculations in the time-dependent Hartree-Fock approximationChemical Physics Letters, 1979
- Photoabsorption in carbon monoxide: Stieltjes–Tchebycheff calculations in the separated-channel static-exchange approximationThe Journal of Chemical Physics, 1978
- Photoabsorption in molecular nitrogen: A moment analysis of discrete-basis-set calculations in the static-exchange approximationThe Journal of Chemical Physics, 1978
- 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