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Title: State-resolved Photodissociation and Radiative Association Data for the Molecular Hydrogen Ion

Abstract

Here, we present state-resolved (electronic, vibrational, and rotational) cross sections and rate coefficients for the photodissociation (PD) of $${{\rm{H}}}_{2}^{+}$$ and radiative association (RA) of H–H +. We developed a fully quantum mechanical approach within the nonrelativistic Born–Oppenheimer approximation to describe $${{\rm{H}}}_{2}^{+}$$ and calculate the data for transitions between the ground electronic state 1$$s{\sigma }_{g}$$ and the 2$$p{\sigma }_{u}$$, $$2p{\pi }_{u}$$, $$3p{\sigma }_{u}$$, $$3p{\pi }_{u}$$, 4$$p{\sigma }_{u}$$, $$4f{\sigma }_{u}$$, $$4f{\pi }_{u}$$, and $$4p{\pi }_{u}$$ electronic states (i.e., up to $${{\rm{H}}}_{2}^{+}$$ n = 4). Tables of the dipole-matrix elements and energies needed to calculate state-resolved cross sections and rate coefficients will be made publicly available. These data could be important in astrophysical models when dealing with photon wavelengths (or radiation temperature distributions that are weighted toward such wavelengths) around 100 nm. For example, at these wavelengths and a material temperature of 8400 K, the LTE-averaged PD cross section via the (second electronically excited) $$2p{\pi }_{u}$$ state is over three times larger than the PD cross section via the (first electronically excited) $$2p{\sigma }_{u}$$ state.

Authors:
 [1];  [2]; ORCiD logo [1];  [2]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Curtin Univ., Perth, WA (Australia)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1484635
Report Number(s):
LA-UR-17-28207
Journal ID: ISSN 1538-4357
Grant/Contract Number:  
89233218CNA000001
Resource Type:
Accepted Manuscript
Journal Name:
The Astrophysical Journal (Online)
Additional Journal Information:
Journal Name: The Astrophysical Journal (Online); Journal Volume: 851; Journal Issue: 1; Journal ID: ISSN 1538-4357
Publisher:
Institute of Physics (IOP)
Country of Publication:
United States
Language:
English
Subject:
79 ASTRONOMY AND ASTROPHYSICS; early universe; galaxies: star formation; molecular data; molecular processes

Citation Formats

Zammit, Mark Christian, Savage, Jeremy S., Colgan, James Patrick, Fursa, Dmitry V., Kilcrease, David Parker, Bray, Igor, Fontes, Christopher John, Hakel, Peter, and Timmermans, Eddy Marcel Elvire. State-resolved Photodissociation and Radiative Association Data for the Molecular Hydrogen Ion. United States: N. p., 2017. Web. doi:10.3847/1538-4357/aa9712.
Zammit, Mark Christian, Savage, Jeremy S., Colgan, James Patrick, Fursa, Dmitry V., Kilcrease, David Parker, Bray, Igor, Fontes, Christopher John, Hakel, Peter, & Timmermans, Eddy Marcel Elvire. State-resolved Photodissociation and Radiative Association Data for the Molecular Hydrogen Ion. United States. doi:10.3847/1538-4357/aa9712.
Zammit, Mark Christian, Savage, Jeremy S., Colgan, James Patrick, Fursa, Dmitry V., Kilcrease, David Parker, Bray, Igor, Fontes, Christopher John, Hakel, Peter, and Timmermans, Eddy Marcel Elvire. Sun . "State-resolved Photodissociation and Radiative Association Data for the Molecular Hydrogen Ion". United States. doi:10.3847/1538-4357/aa9712. https://www.osti.gov/servlets/purl/1484635.
@article{osti_1484635,
title = {State-resolved Photodissociation and Radiative Association Data for the Molecular Hydrogen Ion},
author = {Zammit, Mark Christian and Savage, Jeremy S. and Colgan, James Patrick and Fursa, Dmitry V. and Kilcrease, David Parker and Bray, Igor and Fontes, Christopher John and Hakel, Peter and Timmermans, Eddy Marcel Elvire},
abstractNote = {Here, we present state-resolved (electronic, vibrational, and rotational) cross sections and rate coefficients for the photodissociation (PD) of ${{\rm{H}}}_{2}^{+}$ and radiative association (RA) of H–H+. We developed a fully quantum mechanical approach within the nonrelativistic Born–Oppenheimer approximation to describe ${{\rm{H}}}_{2}^{+}$ and calculate the data for transitions between the ground electronic state 1$s{\sigma }_{g}$ and the 2$p{\sigma }_{u}$, $2p{\pi }_{u}$, $3p{\sigma }_{u}$, $3p{\pi }_{u}$, 4$p{\sigma }_{u}$, $4f{\sigma }_{u}$, $4f{\pi }_{u}$, and $4p{\pi }_{u}$ electronic states (i.e., up to ${{\rm{H}}}_{2}^{+}$ n = 4). Tables of the dipole-matrix elements and energies needed to calculate state-resolved cross sections and rate coefficients will be made publicly available. These data could be important in astrophysical models when dealing with photon wavelengths (or radiation temperature distributions that are weighted toward such wavelengths) around 100 nm. For example, at these wavelengths and a material temperature of 8400 K, the LTE-averaged PD cross section via the (second electronically excited) $2p{\pi }_{u}$ state is over three times larger than the PD cross section via the (first electronically excited) $2p{\sigma }_{u}$ state.},
doi = {10.3847/1538-4357/aa9712},
journal = {The Astrophysical Journal (Online)},
number = 1,
volume = 851,
place = {United States},
year = {2017},
month = {12}
}

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