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

Scarlett, Liam H.; Savage, Jeremy S.; Fursa, Dmitry V.; Bray, Igor; Zammit, Mark C.; Schneider, Barry I.

doi:10.1103/physreva.103.032802

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

Journal Article · Mon Mar 01 00:00:00 EST 2021 · Physical Review A

DOI:https://doi.org/10.1103/physreva.103.032802· OSTI ID:1856158

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Curtin Univ., Perth, WA (Australia)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)

We use the adiabatic-nuclei molecular convergent close-coupling method to perform calculations of 0.01–1000 eV electrons scattering on the c³Π_u, a³$$Σ$$$^{+}_{g}$$, B¹$$Σ$$$^{+}_{u}$$, C¹Π_u, 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.

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Research Organization:: Los Alamos National Lab. (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; TRN: US2305081

Journal Information:: Physical Review A, Vol. 103, Issue 3; ISSN 2469-9926

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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