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Title: Low-energy electron-impact dissociative excitation of molecular hydrogen and its isotopologues

Abstract

Here we apply the adiabatic nuclei convergent close-coupling method to electron-impact dissociative excitation of H2 in the low-energy regime. Differential and integrated cross sections are presented for excitation of the b3Σ+u state, the primary pathway to dissociation of H2 at low energies. Agreement with experiment is satisfactory. Results are also presented for the isotopologues D2, T2, HD, HT, and DT, which show a pronounced isotope effect near threshold in both the differential and integrated cross sections.

Authors:
 [1];  [2];  [1]; ORCiD logo [3];  [1];  [1]
+ Show Author Affiliations
  1. Curtin Univ., Perth, WA (Australia)
  2. The Univ. of Western Australia, Crawley, WA (Australia)
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Curtin Univ., Perth, WA (Australia)
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1514977
Alternate Identifier(s):
OSTI ID: 1414512
Report Number(s):
LA-UR-17-28243
Journal ID: ISSN 2469-9926; PLRAAN
Grant/Contract Number:  
89233218CNA000001; AC52-06NA25396
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review A
Additional Journal Information:
Journal Volume: 96; Journal Issue: 6; Journal ID: ISSN 2469-9926
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats

Scarlett, Liam H., Tapley, Jonathan K., Fursa, Dmitry V., Zammit, Mark Christian, Savage, Jeremy S., and Bray, Igor. Low-energy electron-impact dissociative excitation of molecular hydrogen and its isotopologues. United States: N. p., 2017. Web. doi:10.1103/PhysRevA.96.062708.
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Scarlett, Liam H., Tapley, Jonathan K., Fursa, Dmitry V., Zammit, Mark Christian, Savage, Jeremy S., & Bray, Igor. Low-energy electron-impact dissociative excitation of molecular hydrogen and its isotopologues. United States. https://doi.org/10.1103/PhysRevA.96.062708
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Scarlett, Liam H., Tapley, Jonathan K., Fursa, Dmitry V., Zammit, Mark Christian, Savage, Jeremy S., and Bray, Igor. Thu . "Low-energy electron-impact dissociative excitation of molecular hydrogen and its isotopologues". United States. https://doi.org/10.1103/PhysRevA.96.062708. https://www.osti.gov/servlets/purl/1514977.
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@article{osti_1514977,
title = {Low-energy electron-impact dissociative excitation of molecular hydrogen and its isotopologues},
author = {Scarlett, Liam H. and Tapley, Jonathan K. and Fursa, Dmitry V. and Zammit, Mark Christian and Savage, Jeremy S. and Bray, Igor},
abstractNote = {Here we apply the adiabatic nuclei convergent close-coupling method to electron-impact dissociative excitation of H2 in the low-energy regime. Differential and integrated cross sections are presented for excitation of the b3Σ+u state, the primary pathway to dissociation of H2 at low energies. Agreement with experiment is satisfactory. Results are also presented for the isotopologues D2, T2, HD, HT, and DT, which show a pronounced isotope effect near threshold in both the differential and integrated cross sections.},
doi = {10.1103/PhysRevA.96.062708},
journal = {Physical Review A},
number = 6,
volume = 96,
place = {United States},
year = {Thu Dec 21 00:00:00 EST 2017},
month = {Thu Dec 21 00:00:00 EST 2017}
}
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Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1103/PhysRevA.96.062708
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Cited by: 17 works
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Figures / Tables:

FIG. 1 FIG. 1: Potential energy curves of the X1Σ$^+_g$ and b3Σ$^+_u$ states of H2 obtained from structure calculations performed in the present scattering calculation model (points), compared with the accurate calculations (solid lines) of Kolos et al. (X1Σ$^+_g$) and Staszewska and Wolniewicz (b3Σ$^+_u$). The ground (electronic and vibrational) wave function ofmore » H2 is also shown (dashed line).« less
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    Works referencing / citing this record:

    Electric fields and concentrations of charged and neutral hydrogen isotopic particles in the plasma of low pressure DC discharge
    journal, August 2019

    • Bernatskiy, A. V.; Kochetov, I. V.; Lagunov, V. V.
    • Physics of Plasmas, Vol. 26, Issue 8
    • DOI: 10.1063/1.5118830

    Vibrationally resolved electron-impact excitation cross sections for singlet states of molecular hydrogen
    journal, June 2018

    • Tapley, Jonathan K.; Scarlett, Liam H.; Savage, Jeremy S.
    • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 51, Issue 14
    • DOI: 10.1088/1361-6455/aac8fa

    Calculations of positron scattering on the hydrogen molecular ion
    journal, January 2019

    • Mori, N. A.; Utamuratov, R.; Scarlett, L. H.
    • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 53, Issue 1
    • DOI: 10.1088/1361-6455/ab53a8

    Vibrational excitation of the ${{\rm{H}}}_{2}X{}^{1}{{\rm{\Sigma }}}_{g}^{+}$ state via electron-impact excitation and radiative cascade
    journal, February 2019

    • Scarlett, Liam H.; Tapley, Jonathan K.; Savage, Jeremy S.
    • Plasma Sources Science and Technology, Vol. 28, Issue 2
    • DOI: 10.1088/1361-6595/ab005b

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    • Scarlett, Liam H.; Tapley, Jonathan K.; Fursa, Dmitry V.
    • The European Physical Journal D, Vol. 72, Issue 2
    • DOI: 10.1140/epjd/e2017-80649-8
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