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Convergent close-coupling calculations of electrons scattering on electronically excited molecular hydrogen

Journal Article · · Physical Review A
 [1];  [1];  [1];  [1];  [2];  [3]
  1. Curtin Univ., Perth, WA (Australia)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  3. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
+ Show Author Affiliations
We use the adiabatic-nuclei molecular convergent close-coupling method to perform calculations of 0.01–1000 eV electrons scattering on the c3Πu, a3$$Σ$$$^{+}_{g}$$, B1$$Σ$$$^{+}_{u}$$, C1Πu, and EF1$$Σ$$$^{+}_{g}$$ states of H2 in the v=0 vibrational level. Elastic, superelastic, ionization, and grand-total cross sections are presented, as well as cross sections for excitation of the n=2–3 singlet and triplet states of H2 (where n is the atomic-limit principle quantum number). Comparison with available theoretical results is made. Good agreement is found with the recent R-matrix results [J. Phys. B 53, 245203 (2020)] for most of the exchange and dipole-forbidden transitions, but not for the dipole-allowed transitions. Here, the sources of disagreement were found to be an unconverged partial-wave expansion and the utilization of the fixed-nuclei approximation (as opposed to adiabatic-nuclei) in the R-matrix calculations.
Research Organization:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
89233218CNA000001
OSTI ID:
1856158
Report Number(s):
LA-UR-20-30414
Journal Information:
Physical Review A, Journal Name: Physical Review A Journal Issue: 3 Vol. 103; ISSN 2469-9926
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

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Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
Electron & positron scattering
Electronic excitation & ionization
Scattering of atoms
molecules
clusters & ions