B-spline Breit-Pauli R-matrix calculations for electron collisions with neon atoms

被引：83

作者：

Zatsarinny, O ^{[1
]}

Bartschat, K ^{[1
]}

机构：

[1] Drake Univ, Dept Phys & Astron, Des Moines, IA 50311 USA

来源：

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 2004年 / 37卷 / 10期

关键词：

D O I：

10.1088/0953-4075/37/10/013

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

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.

引用

页码：2173 / 2189

页数：17

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