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

被引:17
作者
Scarlett, Liam H. [1 ,2 ]
Savage, Jeremy S. [1 ,2 ]
Fursa, Dmitry, V [1 ,2 ]
Bray, Igor [1 ,2 ]
Zammit, Mark C. [3 ]
Schneider, Barry, I [4 ]
机构
[1] Curtin Univ, Curtin Inst Computat, Perth, WA 6102, Australia
[2] Curtin Univ, Dept Phys Astron & Med Radiat Sci, Perth, WA 6102, Australia
[3] Theoret Div, Los Alamos Natl Lab, Los Alamos, NM 87545 USA
[4] NIST, Gaithersburg, MD 20899 USA
基金
澳大利亚研究理事会;
关键词
CROSS-SECTIONS; TRANSITION MOMENTS; ADIABATIC POTENTIALS; RADIATIVE LIFETIMES; GROUND-STATE; ENERGIES; IMPACT; IONIZATION; (1)PI(U);
D O I
10.1103/PhysRevA.103.032802
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We use the adiabatic-nuclei molecular convergent close-coupling method to perform calculations of 0.01-1000 eV electrons scattering on the c(3)Pi(u), a(3)Sigma(+)(g), B-1 Sigma(+)(u), C-1 Pi(u), and EF1 Sigma(+)(g) states of H-2 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 H-2 (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. 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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页数:17
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