Abstract
We have extended the B-spline R-matrix method of Zatsarinny and Froese Fischer (2000 J. Phys. B: At. Mol. Opt. Phys. 33 313) to account for relativistic effects by including terms of the Breit–Pauli Hamiltonian in the inner region of the R-matrix box. The new computer code has been applied successfully to the treatment of e–Ne collisions, also using a variety of non-orthogonal valence orbitals to account for the strong term dependence in the one-electron orbitals. Using non-orthogonal basis sets avoids the need for pseudo-orbitals to improve upon the target description and virtually eliminates pseudo-resonance problems. While the present results are in overall satisfactory agreement with earlier results from a standard R-matrix calculation (Zeman and Bartschat 1997 J. Phys. B: At. Mol. Opt. Phys. 30 4609), a thorough comparison with recent experimental data for angle-integrated and angle-differential cross sections reveals substantial improvements of the present calculations in detail.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Journal of Physics B: Atomic, Molecular and Optical Physics
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
