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DOE OSTI · 2568910

Photoionization of the O 2 molecule

Zammit, M. C. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:000000030473379X)·Colgan, J. P. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000310453858)·Fontes, C. J. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000310872964)·Pindzola, M. S. [Auburn Univ., AL (United States)] (ORCID:0000000167879249)
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Abstract

Ground state total and partial photoionization cross sections of the O 2 molecule have been produced with the configuration-average distorted-wave (CADW) approximation, and an energy-corrected pseudo independent-atom (PIA) method. The PIA approach is based on molecular orbitals expressed as a linear combination of atomic orbitals, and utilizes the corresponding atomic-orbital photoionization cross sections. Here we use an energy-corrected PIA approach with atomic photoionization cross sections computed using a CADW method. Our results are found to be in good agreement with photoionization measurements across a wide photon energy range, and in reasonably good agreement with the CADW calculations.

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74 ATOMIC AND MOLECULAR PHYSICSconfiguration-averagedistorted-wavemoleculesphotoionization

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BibTeXRIS

Zammit, M. C. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:000000030473379X), Colgan, J. P. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000310453858), Fontes, C. J. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000310872964), Pindzola, M. S. [Auburn Univ., AL (United States)] (ORCID:0000000167879249). 2025-05-21. Photoionization of the O 2 molecule. https://doi.org/10.1088/1361-6455%2Fadd43c

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