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  Single and double charge transfer in the Ne2+ + He collision within time-dependent density-functional theory

Yu, W., Gao, C.-Z., Sato, S., Castro, A., Rubio, A., & Wei, B. (2021). Single and double charge transfer in the Ne2+ + He collision within time-dependent density-functional theory. Physical Review A, 103(3): 032816. doi:10.1103/PhysRevA.103.032816.

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PhysRevA.103.032816.pdf (Publisher version), 2MB
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2021
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© American Physical Society

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https://dx.doi.org/10.1103/PhysRevA.103.032816 (Publisher version)
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 Creators:
Yu, W.1, 2, Author
Gao, C.-Z.3, Author
Sato, S.4, 5, Author              
Castro, A.6, 7, Author
Rubio, A.5, Author              
Wei, B.1, 2, Author
Affiliations:
1Institute of Modern Physics, Department of Nuclear Science and Technology, Fudan University, ou_persistent22              
2Key Laboratory of Nuclear Physics and Ion-beam Application (MOE), Fudan University, ou_persistent22              
3Institute of Applied Physics and Computational Mathematics, Beijing, ou_persistent22              
4Center for Computational Sciences, University of Tsukuba, ou_persistent22              
5Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
6ARAID Foundation, ou_persistent22              
7Institute for Biocomputation and Physics of Complex Systems, University of Zaragoza, ou_persistent22              

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 Abstract: We calculate the charge-transfer cross sections for the Ne2++ He collision. To this end, we employ Ehrenfest molecular dynamics with time-dependent density-functional theory. The active electrons of the projectile are handled by applying an initial velocity to the Kohn-Sham orbitals via a Galilean boost. The dynamical calculations are performed in an inverse collision framework—the reference frame considers Ne2+ to be initially at rest, which ensures numerically converged final-time scattering states. The charge-transfer probabilities are extracted by extending the particle number projection technique to be able to handle the degenerate Ne2+ ion. Compared with experimental data available at 10–3000 keV, a fairly good agreement is found for the calculated single- and double-charge transfer cross sections, superior to other theoretical calculations for this Ne2++ He collision. A time-resolved analysis of the charge-transfer probabilities finds that ionization to the continuum also takes place after the charge transfer has occurred. To account for it, the final scattering states should be followed for a long time, approximately 350 fs, until they stabilize.

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Language(s): eng - English
 Dates: 2020-10-302021-02-152021-03-122021-03
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1103/PhysRevA.103.032816
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Title: Physical Review A
  Other : Physical Review A: Atomic, Molecular, and Optical Physics
  Other : Phys. Rev. A
Source Genre: Journal
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Publ. Info: New York, NY : American Physical Society
Pages: - Volume / Issue: 103 (3) Sequence Number: 032816 Start / End Page: - Identifier: ISSN: 1050-2947
CoNE: https://pure.mpg.de/cone/journals/resource/954925225012_2