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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 H 2 in the low-energy regime. Differential and integrated cross sections are presented for excitation of the b 3Σ + u state, the primary pathway to dissociation of H 2 at low energies. Agreement with experiment is satisfactory. Results are also presented for the isotopologues D 2, T 2, 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]
  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 Lab. (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:
Journal Article: 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

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.
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. doi:10.1103/PhysRevA.96.062708.
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. doi:10.1103/PhysRevA.96.062708. https://www.osti.gov/servlets/purl/1514977.
@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},
issn = {2469-9926},
number = 6,
volume = 96,
place = {United States},
year = {2017},
month = {12}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 6 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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