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...

Full description

Saved in:
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
Tags: Add Tag
No Tags, Be the first to tag this record!
Abstract 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 .
AbstractList 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 .
Photoionization cross sections and rate coefficients have been calculated for all bound vibrational levels of the 1sσg 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.
Author Singor, Adam
Bray, Igor
Fursa, Dmitry V.
Zammit, Mark C.
Scarlett, Liam H.
Author_xml – sequence: 1
  givenname: Adam
  orcidid: 0000-0002-9098-9136
  surname: Singor
  fullname: Singor, Adam
– sequence: 2
  givenname: Liam H.
  orcidid: 0000-0002-9900-9712
  surname: Scarlett
  fullname: Scarlett, Liam H.
– sequence: 3
  givenname: Mark C.
  orcidid: 0000-0003-0473-379X
  surname: Zammit
  fullname: Zammit, Mark C.
– sequence: 4
  givenname: Igor
  orcidid: 0000-0001-7554-8044
  surname: Bray
  fullname: Bray, Igor
– sequence: 5
  givenname: Dmitry V.
  orcidid: 0000-0002-3951-9016
  surname: Fursa
  fullname: Fursa, Dmitry V.
BackLink https://www.osti.gov/servlets/purl/2570751$$D View this record in Osti.gov
BookMark eNp1kM1LAzEQxYNUsK3ePQavsjbZJLvZo9TaFgoKflxDkk3cle2mJCmof73ZVjwIHoYHw-8N894EjHrXGwAuMbohnJYzzAjPKCnYTGrLKToB49_VCIwRKsoMIVqdgUkI7wihkpFqDJrHxkXXur79kjEJtN5tYWwMXHq372so0yw-dBtNDV9b5Q-U7OBTlNEE6CxcwRxeH7h1DPDO7KNJVMLXIZ3euc697U04B6dWdsFc_OgUvNwvnuerbPOwXM9vN5nGmOEMc8WV4UTVpDaUUaTqguqSFzmtq8qgihjGC2U5x5ZyhJSRSlvDipKXVZ1rMgVXx7suxFaE4XHdaNf3RkeRszLlxgkqjpD2LgRvrEjcIVn0su0ERmIoVQwNiqFBcSw1GdEf4863W-k__7d8A2oTfGc
CitedBy_id crossref_primary_10_1103_PhysRevA_111_050101
crossref_primary_10_1063_5_0235703
Cites_doi 10.1103/PhysRevLett.98.043005
10.1103/PhysRevA.103.L020801
10.1088/0022-3700/1/4/303
10.1029/96JA01130
10.1086/153387
10.1016/j.physleta.2006.08.031
10.1103/PhysRevA.90.022711
10.1086/174411
10.1086/383562
10.1103/PhysRevA.88.013415
10.1103/PhysRevA.77.022702
10.1103/PhysRevA.79.023420
10.1103/PhysRevA.103.032802
10.1103/PhysRevA.84.033405
10.1140/epjd/e2018-80360-4
10.1016/0301-0104(92)80069-8
10.1088/0022-3700/19/13/008
10.1103/PhysRevA.79.043409
10.1111/j.1365-2966.2008.14191.x
10.1051/0004-6361/201628742
10.1103/PhysRevA.96.022706
10.1016/j.physleta.2018.05.002
10.1016/j.physleta.2005.10.032
10.1103/PhysRevA.79.032702
10.1103/PhysRevA.68.063413
10.1088/0370-1298/66/12/306
10.3847/1538-4357/aa9712
10.1016/0301-0104(94)85017-8
10.1103/PhysRev.150.30
10.1029/2010JA016145
10.1016/j.cpc.2022.108514
ContentType Journal Article
CorporateAuthor Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
CorporateAuthor_xml – name: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
DBID AAYXX
CITATION
OIOZB
OTOTI
DOI 10.3847/1538-4365/acf840
DatabaseName CrossRef
OSTI.GOV - Hybrid
OSTI.GOV
DatabaseTitle CrossRef
DatabaseTitleList CrossRef
DeliveryMethod fulltext_linktorsrc
Discipline Astronomy & Astrophysics
Physics
EISSN 1538-4365
ExternalDocumentID 2570751
10_3847_1538_4365_acf840
GroupedDBID -~X
123
1JI
23N
4.4
6J9
85S
AAFWJ
AAGCD
AAJIO
AAYXX
ABCQX
ABHWH
ACGFO
ACGFS
ACHIP
ADACN
AEFHF
AEINN
AENEX
AFPKN
AKPSB
ALMA_UNASSIGNED_HOLDINGS
ASPBG
ATQHT
AVWKF
AZFZN
CITATION
CJUJL
CRLBU
E3Z
EBS
F5P
FRP
GROUPED_DOAJ
IJHAN
IOP
KOT
L7B
M~E
N5L
O3W
O43
OK1
P2P
PJBAE
RIN
RNS
ROL
SY9
T37
UPT
OIOZB
OTOTI
ID FETCH-LOGICAL-c1151-18b8be83bd3de4540bd64c78624d99e093e586bf881f4800beabcfe567879d2c3
ISSN 0067-0049
IngestDate Mon Jul 14 02:20:16 EDT 2025
Tue Nov 18 22:05:05 EST 2025
Sat Nov 29 01:32:54 EST 2025
IsDoiOpenAccess true
IsOpenAccess true
IsPeerReviewed true
IsScholarly true
Issue 1
Language English
LinkModel OpenURL
MergedId FETCHMERGED-LOGICAL-c1151-18b8be83bd3de4540bd64c78624d99e093e586bf881f4800beabcfe567879d2c3
Notes LA-UR--23-28378
89233218CNA000001
USDOE National Nuclear Security Administration (NNSA)
US Air Force Office of Scientific Research (AFOSR)
ORCID 0000-0003-0473-379X
0000-0002-9098-9136
0000-0002-3951-9016
0000-0001-7554-8044
0000-0002-9900-9712
0000000175548044
0000000299009712
0000000290989136
000000030473379X
0000000239519016
OpenAccessLink http://dx.doi.org/10.3847/1538-4365/acf840
ParticipantIDs osti_scitechconnect_2570751
crossref_citationtrail_10_3847_1538_4365_acf840
crossref_primary_10_3847_1538_4365_acf840
PublicationCentury 2000
PublicationDate 2023-11-01
PublicationDateYYYYMMDD 2023-11-01
PublicationDate_xml – month: 11
  year: 2023
  text: 2023-11-01
  day: 01
PublicationDecade 2020
PublicationPlace United States
PublicationPlace_xml – name: United States
PublicationTitle The Astrophysical journal. Supplement series
PublicationYear 2023
Publisher IOP Publishing
Publisher_xml – name: IOP Publishing
References Tseng (apjsacf840bib32) 2011; 116
Wiersma (apjsacf840bib33) 2009; 393
Galli (apjsacf840bib18) 1998; 335
Colgan (apjsacf840bib8) 2003; 68
Mukherjee (apjsacf840bib23) 2006; 360
Haxton (apjsacf840bib20) 2013; 88
Bates (apjsacf840bib3) 1968; 1
Fernández (apjsacf840bib15) 2009b; 79
Gruntman (apjsacf840bib19) 1996; 101
Heays (apjsacf840bib21) 2017; 602
Bates (apjsacf840bib4) 1953; 66
Ford (apjsacf840bib17) 1975; 195
Scarlett (apjsacf840bib27) 2021b; 103
Zammit (apjsacf840bib34) 2014; 90
Zammit (apjsacf840bib35) 2017; 851
Cohen (apjsacf840bib7) 1966; 150
Richards (apjsacf840bib24) 1986; 19
Scarlett (apjsacf840bib26) 2021a; 103
Arkhipov (apjsacf840bib2) 2018; 382
Della Picca (apjsacf840bib12) 2009; 79
Aleman (apjsacf840bib1) 2004; 607
Fernández (apjsacf840bib13) 2009a; 79
Brosolo (apjsacf840bib5) 1992; 159
Tsednee (apjsacf840bib31) 2018; 72
Langhoff (apjsacf840bib22) 1985
Fernández (apjsacf840bib14) 2007; 98
Brosolo (apjsacf840bib6) 1994; 181
Dalgarno (apjsacf840bib9) 1985
Della Picca (apjsacf840bib11) 2008; 77
Scarlett (apjsacf840bib28) 2017; 96
Fojón (apjsacf840bib16) 2006; 350
Singor (apjsacf840bib29) 2022; 282
Della Picca (apjsacf840bib10) 2011; 84
Stancil (apjsacf840bib30) 1994; 430
Savage (apjsacf840bib25) 2018
References_xml – volume: 98
  start-page: 043005
  year: 2007
  ident: apjsacf840bib14
  publication-title: PhRvL
  doi: 10.1103/PhysRevLett.98.043005
– volume: 103
  start-page: L020801
  year: 2021a
  ident: apjsacf840bib26
  publication-title: PhRvA
  doi: 10.1103/PhysRevA.103.L020801
– volume: 1
  start-page: 543
  year: 1968
  ident: apjsacf840bib3
  publication-title: JPhB
  doi: 10.1088/0022-3700/1/4/303
– start-page: 551
  year: 1985
  ident: apjsacf840bib22
– volume: 101
  start-page: 15555
  year: 1996
  ident: apjsacf840bib19
  publication-title: JGR
  doi: 10.1029/96JA01130
– volume: 195
  start-page: 819
  year: 1975
  ident: apjsacf840bib17
  publication-title: ApJ
  doi: 10.1086/153387
– volume: 360
  start-page: 287
  year: 2006
  ident: apjsacf840bib23
  publication-title: PhLA
  doi: 10.1016/j.physleta.2006.08.031
– volume: 90
  start-page: 022711
  year: 2014
  ident: apjsacf840bib34
  publication-title: PhRvA
  doi: 10.1103/PhysRevA.90.022711
– volume: 430
  start-page: 360
  year: 1994
  ident: apjsacf840bib30
  publication-title: ApJ
  doi: 10.1086/174411
– volume: 607
  start-page: 865
  year: 2004
  ident: apjsacf840bib1
  publication-title: ApJ
  doi: 10.1086/383562
– volume: 88
  start-page: 013415
  year: 2013
  ident: apjsacf840bib20
  publication-title: PhRvA
  doi: 10.1103/PhysRevA.88.013415
– volume: 77
  start-page: 022702
  year: 2008
  ident: apjsacf840bib11
  publication-title: PhRvA
  doi: 10.1103/PhysRevA.77.022702
– volume: 79
  start-page: 023420
  year: 2009a
  ident: apjsacf840bib13
  publication-title: PhRvA
  doi: 10.1103/PhysRevA.79.023420
– start-page: 3
  year: 1985
  ident: apjsacf840bib9
– volume: 103
  start-page: 032802
  year: 2021b
  ident: apjsacf840bib27
  publication-title: PhRvA
  doi: 10.1103/PhysRevA.103.032802
– volume: 84
  start-page: 033405
  year: 2011
  ident: apjsacf840bib10
  publication-title: PhRvA
  doi: 10.1103/PhysRevA.84.033405
– volume: 72
  start-page: 56
  year: 2018
  ident: apjsacf840bib31
  publication-title: EPJD
  doi: 10.1140/epjd/e2018-80360-4
– year: 2018
  ident: apjsacf840bib25
– volume: 159
  start-page: 185
  year: 1992
  ident: apjsacf840bib5
  publication-title: CP
  doi: 10.1016/0301-0104(92)80069-8
– volume: 19
  start-page: 1945
  year: 1986
  ident: apjsacf840bib24
  publication-title: JPhB
  doi: 10.1088/0022-3700/19/13/008
– volume: 79
  start-page: 043409
  year: 2009b
  ident: apjsacf840bib15
  publication-title: PhRvA
  doi: 10.1103/PhysRevA.79.043409
– volume: 393
  start-page: 99
  year: 2009
  ident: apjsacf840bib33
  publication-title: MNRAS
  doi: 10.1111/j.1365-2966.2008.14191.x
– volume: 602
  start-page: A105
  year: 2017
  ident: apjsacf840bib21
  publication-title: A&A
  doi: 10.1051/0004-6361/201628742
– volume: 96
  start-page: 022706
  year: 2017
  ident: apjsacf840bib28
  publication-title: PhRvA
  doi: 10.1103/PhysRevA.96.022706
– volume: 382
  start-page: 1881
  year: 2018
  ident: apjsacf840bib2
  publication-title: PhLA
  doi: 10.1016/j.physleta.2018.05.002
– volume: 335
  start-page: 403
  year: 1998
  ident: apjsacf840bib18
  publication-title: A&A
– volume: 350
  start-page: 371
  year: 2006
  ident: apjsacf840bib16
  publication-title: PhLA
  doi: 10.1016/j.physleta.2005.10.032
– volume: 79
  start-page: 032702
  year: 2009
  ident: apjsacf840bib12
  publication-title: PhRvA
  doi: 10.1103/PhysRevA.79.032702
– volume: 68
  start-page: 063413
  year: 2003
  ident: apjsacf840bib8
  publication-title: PhRvA
  doi: 10.1103/PhysRevA.68.063413
– volume: 66
  start-page: 1113
  year: 1953
  ident: apjsacf840bib4
  publication-title: PPSA
  doi: 10.1088/0370-1298/66/12/306
– volume: 851
  start-page: 64
  year: 2017
  ident: apjsacf840bib35
  publication-title: ApJ
  doi: 10.3847/1538-4357/aa9712
– volume: 181
  start-page: 85
  year: 1994
  ident: apjsacf840bib6
  publication-title: CP
  doi: 10.1016/0301-0104(94)85017-8
– volume: 150
  start-page: 30
  year: 1966
  ident: apjsacf840bib7
  publication-title: PhRv
  doi: 10.1103/PhysRev.150.30
– volume: 116
  start-page: A03209
  year: 2011
  ident: apjsacf840bib32
  publication-title: JGRA
  doi: 10.1029/2010JA016145
– volume: 282
  start-page: 108514
  year: 2022
  ident: apjsacf840bib29
  publication-title: CoPhC
  doi: 10.1016/j.cpc.2022.108514
SSID ssj0007539
Score 2.4323213
Snippet 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 + ....
Photoionization cross sections and rate coefficients have been calculated for all bound vibrational levels of the 1sσg state of H$^+_2$, HD+, and D$^+_2$. The...
SourceID osti
crossref
SourceType Open Access Repository
Enrichment Source
Index Database
StartPage 19
SubjectTerms ATOMIC AND MOLECULAR PHYSICS
Title Photoionization from the Ground and Excited Vibrational States of H 2 + and Its Deuterated Isotopologues
URI https://www.osti.gov/servlets/purl/2570751
Volume 269
hasFullText 1
inHoldings 1
isFullTextHit
isPrint
journalDatabaseRights – providerCode: PRVAON
  databaseName: DOAJ Open Access Full Text
  customDbUrl:
  eissn: 1538-4365
  dateEnd: 99991231
  omitProxy: false
  ssIdentifier: ssj0007539
  issn: 0067-0049
  databaseCode: DOA
  dateStart: 20220101
  isFulltext: true
  titleUrlDefault: https://www.doaj.org/
  providerName: Directory of Open Access Journals
– providerCode: PRVIOP
  databaseName: Institute of Physics Open Access Journal Titles
  customDbUrl:
  eissn: 1538-4365
  dateEnd: 99991231
  omitProxy: false
  ssIdentifier: ssj0007539
  issn: 0067-0049
  databaseCode: O3W
  dateStart: 19961201
  isFulltext: true
  titleUrlDefault: http://iopscience.iop.org/
  providerName: IOP Publishing
– providerCode: PRVHPJ
  databaseName: ROAD: Directory of Open Access Scholarly Resources
  customDbUrl:
  eissn: 1538-4365
  dateEnd: 99991231
  omitProxy: false
  ssIdentifier: ssj0007539
  issn: 0067-0049
  databaseCode: M~E
  dateStart: 19540101
  isFulltext: true
  titleUrlDefault: https://road.issn.org
  providerName: ISSN International Centre
link http://cvtisr.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwtV1Ra9swEBYh3WAvY-s22nUrekgGI7hxJDuWH9ORkUFpA-u6Ps3Ist2mJHGInRL6N_aHdycpjpuHsj3sxQjHVszdx-nuk-6OkBaTinl9IR3Zk9zxsjBwQk-6jitVlnFXhYnewb86C87PxfV1OG40fm9yYe6nwXwu1utw8V9VDfdA2Zg6-w_qriaFGzAGpcMV1A7Xv1L8-DYvc2RZH-w5wk0CCdJMpjJrZ7hW2tW8wmDZsoHG7dTEfpt5bX_YZqcRg6E5MlwWYJtWugYzvPitgD_R7RVW9hDi3RZ2g6Jc5osNAOxHn3R0A1HNRnZQENvDi99h-TSswSCRs_rW0NSeIj6byFlndFKx3HI2m1SpRrZAQg3np0tpGOGbfFmnNRi3-X1VqHsxrhFxdQsOhh3DmroFZ6bbSx2quysDh1UYSQq07x7vY0ENQKMwpaJ2Km5jY78A0_L3WOCHaCov-M9qeYf4zsRU9kPM3jfO361m75q5H_k6zRwkUfNdLl-RlzbooAMDltekkc73yYFWE6a00E-0prJinzwfm9EbcreDJopoooAmatBEARvUoonW0EQNmmie0VHrVydiLf0koIhuUUQfoegt-fF1ePll5Nj2HI6CMKLn9EQs4lTwOOFJioUc46TvqQAzjpIwTN2Qp77ox5kQvcyDuCROZayy1Af3KAgTpvg70pzn8_SAUIhRfCkEFyILPJ9xCZ5jBr6nG4dZqjz3kHQ3goyUrV2PLVSmEcSwKPoIRR-h6CMj-kPyuXpjYeq2PPHsEeomKlBY6lbhCTNVRhYG75_89Yi82KL3A2mWy1X6kTxT9-WkWB5rhudY4-cPXz6XuQ
linkProvider IOP Publishing
openUrl ctx_ver=Z39.88-2004&ctx_enc=info%3Aofi%2Fenc%3AUTF-8&rfr_id=info%3Asid%2Fsummon.serialssolutions.com&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Photoionization+from+the+Ground+and+Excited+Vibrational+States+of+H%24%5E%2B_2%24+and+Its+Deuterated+Isotopologues&rft.jtitle=The+Astrophysical+journal.+Supplement+series&rft.au=Singor%2C+Adam&rft.au=Scarlett%2C+Liam+H.&rft.au=Zammit%2C+Mark+Christian&rft.au=Bray%2C+Igor&rft.date=2023-11-01&rft.pub=IOP+Publishing&rft.issn=0067-0049&rft.volume=269&rft.issue=1&rft_id=info:doi/10.3847%2F1538-4365%2Facf840&rft.externalDocID=2570751
thumbnail_l http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/lc.gif&issn=0067-0049&client=summon
thumbnail_m http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/mc.gif&issn=0067-0049&client=summon
thumbnail_s http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/sc.gif&issn=0067-0049&client=summon