Photoionization from the Ground and Excited Vibrational States of H 2 + and Its Deuterated Isotopologues

Photoionization cross sections and rate coefficients have been calculated for all bound vibrational levels of the 1s σ g state of H 2 + , HD + , and D 2 + . The Born–Oppenheimer approximation is employed in our calculation of vibrationally resolved photoionization cross sections. Vibrationally resol...

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Bibliographic Details
Published in:The Astrophysical journal. Supplement series Vol. 269; no. 1; p. 19
Main Authors: Singor, Adam, Scarlett, Liam H., Zammit, Mark C., Bray, Igor, Fursa, Dmitry V.
Format: Journal Article
Language:English
Published: United States IOP Publishing 01.11.2023
Subjects:
ATOMIC AND MOLECULAR PHYSICS
ISSN:0067-0049, 1538-4365
Online Access:Get full text
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Summary:Photoionization cross sections and rate coefficients have been calculated for all bound vibrational levels of the 1s σ g state of H 2 + , HD + , and D 2 + . The Born–Oppenheimer approximation is employed in our calculation of vibrationally resolved photoionization cross sections. Vibrationally resolved and local thermal equilibrium photoionization rate coefficients are presented for photon temperatures less than 50,000 K and are found to be several orders of magnitude larger than previous results in the literature. Analytic fits for the vibrationally resolved and local thermal equilibrium photoionization rate coefficients are provided. Near-threshold oscillations in the vibrationally resolved photoionization are observed. A benchmark set of photoionization cross sections are presented. Fixed-nuclei photoionization cross sections are calculated using two-center true continuum wave functions and are verified by comparison with previous calculations and are found to be in excellent agreement in all cases. Data files for our set of benchmark cross sections, rate coefficients, and fitting parameters for H 2 + , HD + , and D 2 + are available on Zenodo under an open-source Creative Commons Attribution license at doi: 10.5281/zenodo.8304061 .
Bibliography:LA-UR--23-28378
89233218CNA000001
USDOE National Nuclear Security Administration (NNSA)
US Air Force Office of Scientific Research (AFOSR)
ISSN:0067-0049
1538-4365
DOI:10.3847/1538-4365/acf840