Ab initio calculation of H+He+ charge-transfer cross sections for plasma physics

J. Loreau, K. Sodoga, D. Lauvergnat, M. Desouter-Lecomte, and N. Vaeck
Phys. Rev. A 82, 012708 – Published 26 July 2010
PDFHTMLExport Citation

Abstract

The charge-transfer in low-energy (0.25 to 150 eV/amu) H(nl)+He+(1s) collisions is investigated using a quasimolecular approach for the n=2,3 as well as the first two n=4 singlet states. The diabatic potential energy curves of the HeH+ molecular ion are obtained from the adiabatic potential energy curves and the nonadiabatic radial coupling matrix elements using a two-by-two diabatization method, and a time-dependent wave-packet approach is used to calculate the state-to-state cross sections. We find a strong dependence of the charge-transfer cross section on the principal and orbital quantum numbers n and l of the initial or final state. We estimate the effect of the nonadiabatic rotational couplings, which is found to be important even at energies below 1 eV/amu. However, the effect is small on the total cross sections at energies below 10 eV/amu. We observe that to calculate charge-transfer cross sections in an n manifold, it is only necessary to include states with nn, and we discuss the limitations of our approach as the number of states increases.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
3 More
  • Received 28 April 2010

DOI:https://doi.org/10.1103/PhysRevA.82.012708

©2010 American Physical Society

Authors & Affiliations

J. Loreau1,*, K. Sodoga2,3, D. Lauvergnat2, M. Desouter-Lecomte2,4, and N. Vaeck1

  • 1Laboratoire de Chimie Quantique et Photophysique, Université Libre de Bruxelles, CP 160/09 50, avenue F. D. Roosevelt, B-1050 Bruxelles, Belgium
  • 2Laboratoire de Chimie Physique, Bâtiment 349, Université de Paris-Sud, UMR8000, F-91405 Orsay, France
  • 3Faculté des Sciences, Département de Physique, Université de Lomé, Boîte Postale 1515 Lomé, Togo
  • 4Département de Chimie, B6c, Université de Liège, Sart-Tilman, B-4000 Liège 1, Belgium

  • *jloreau@ulb.ac.be

Article Text (Subscription Required)

Click to Expand

Supplemental Material (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 82, Iss. 1 — July 2010

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review A

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×