文献类型：期刊文献

英文题名：A new relativistic Hartree-Fock calculation scheme and its application to the evaluation of fine-structure intervals for nd (n = 3-40) series of sodium

作者：He, Liming[1,2]; Zhu, Yunxia[1]; Zhang, Meng[1]; Tu, Yaoquan[2]

机构：[1] Department of Physics, East China University of Science and Technology, Shanghai 200237, China; [2] Division of Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, Stockholm 106 91, Sweden

年份：2011

卷号：44

期号：22

外文期刊名：Journal of Physics B: Atomic, Molecular and Optical Physics

收录：EI(收录号：20114614520567)

语种：英文

外文关键词：Rydberg states - Sodium - Eigenvalues and eigenfunctions

摘要：We present a new second-order representation of the relativistic Hartree-Fock equation, which can be solved by the standard Hartree-Fock technique. An alternative reduction for the magnetic part of the Breit interaction is presented in an explicit expression. A corresponding program has been developed, which improves significantly the scaled linear mesh introduced by Herman and Skillman. The structures for a number of atoms and ions are calculated and the agreement of our results with those published is excellent. We evaluate the fine-structure intervals of nd(n = 3-40) Rydberg series for sodium. The inverted fine-structure splitting values are obtained directly as the differences of eigenvalues obtained from a self-consistent field procedure. Taking into account the Gaunt effect enables the accuracy of the calculation to be substantially improved. The complete treatments reproduce very well the inverted fine structures along the Rydberg series and the relative difference between the present results and the experiments does not exceed 4.4%. ? 2011 IOP Publishing Ltd.