Photoionization of the O2 molecule

Zammit, M. C.; Colgan, J. P.; Fontes, C. J.; Pindzola, M. S.

doi:10.1088/1361-6455/add43c

Photoionization of the O₂ molecule

Journal Article · Wed May 21 00:00:00 EDT 2025 · Journal of Physics. B, Atomic, Molecular and Optical Physics

DOI:https://doi.org/10.1088/1361-6455/add43c· OSTI ID:2568910

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Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Auburn Univ., AL (United States)

Ground state total and partial photoionization cross sections of the O₂ 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.

View Accepted Manuscript (DOE)

Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 2568910

Report Number(s):: LA-UR--25-20759; 10.1088/1361-6455/add43c; 1361-6455

Journal Information:: Journal of Physics. B, Atomic, Molecular and Optical Physics, Journal Name: Journal of Physics. B, Atomic, Molecular and Optical Physics Journal Issue: 10 Vol. 58; ISSN 0953-4075; ISSN 1361-6455

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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Photoionization of the O2 molecule

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Photoionization of the O₂ molecule