Aufsatz in einer Fachzeitschrift
Investigation of photoionization and photodissociation of an oxygen molecule by the method of coupled differential equations
Details zur Publikation
Autor(inn)en: | Demekhin, P.; Omel'yanenko, D.; Lagutin, B.; Sukhorukov, V.; Werner, L.; Ehresmann, A.; Schartner, K.; Schmoranzer, H. |
Publikationsjahr: | 2007 |
Zeitschrift: | Optics and Spectroscopy |
Seitenbereich: | 318-329 |
Jahrgang/Band : | 102 |
ISSN: | 0030-400X |
URN / URL: |
Zusammenfassung, Abstract
The photoionization and photodissociation of an oxygen molecule are investigated theoretically by the method of coupled differential equations. The molecular orbitals of the core are calculated in the MO LCAO approximation. The molecular orbitals of a photoelectron in the discrete and continuous spectra are determined by the single-center method. The wave functions of vibrational motion of the oxygen molecule are obtained within the diabatic approach. The described method is used for calculating the predissociation and autoionization widths of the 2σ-1u (c 4Σ-u)n/σg, v Rydberg states of the oxygen molecule. The total cross sections of the resonant photoionization and neutral predissociation calculated for the oxygen molecule in the excitation energy range 20.6-24.8 eV are in good agreement with the available experimental data.
The photoionization and photodissociation of an oxygen molecule are investigated theoretically by the method of coupled differential equations. The molecular orbitals of the core are calculated in the MO LCAO approximation. The molecular orbitals of a photoelectron in the discrete and continuous spectra are determined by the single-center method. The wave functions of vibrational motion of the oxygen molecule are obtained within the diabatic approach. The described method is used for calculating the predissociation and autoionization widths of the 2σ-1u (c 4Σ-u)n/σg, v Rydberg states of the oxygen molecule. The total cross sections of the resonant photoionization and neutral predissociation calculated for the oxygen molecule in the excitation energy range 20.6-24.8 eV are in good agreement with the available experimental data.
