Calculations on polarization properties of alkali metal atoms using Dirac-Fock plus core polarization method

doi:10.1088/1674-1056/23/6/063101

中国物理B ›› 2014, Vol. 23 ›› Issue (6): 63101-063101.doi: 10.1088/1674-1056/23/6/063101

• ATOMIC AND MOLECULAR PHYSICS • 上一篇下一篇

Calculations on polarization properties of alkali metal atoms using Dirac-Fock plus core polarization method

唐永波^{a b}, 李承斌^b, 乔豪学^a

a Department of Physics, Wuhan University, Wuhan 430072, China;
b State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071, China

收稿日期:2013-11-14 修回日期:2013-12-31 出版日期:2014-06-15 发布日期:2014-06-15
基金资助:
Project supported by the National Basic Research Program of China (Grant No. 2012CB821305) and the National Natural Science Foundation of China (Grant Nos. 11034009 and 11274246).

Calculations on polarization properties of alkali metal atoms using Dirac-Fock plus core polarization method

Tang Yong-Bo (唐永波)^{a b}, Li Cheng-Bin (李承斌)^b, Qiao Hao-Xue (乔豪学)^a

a Department of Physics, Wuhan University, Wuhan 430072, China;
b State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071, China

Received:2013-11-14 Revised:2013-12-31 Online:2014-06-15 Published:2014-06-15
Contact: Li Cheng-Bin, Qiao Hao-Xue E-mail:cbli@wipm.ac.cn;qhx@whu.edu.cn
Supported by:
Project supported by the National Basic Research Program of China (Grant No. 2012CB821305) and the National Natural Science Foundation of China (Grant Nos. 11034009 and 11274246).

摘要/Abstract

摘要： A semi-empirical atomic structure model method is developed in the framework of a relativistic case. This method starts from Dirac-Fock calculations using B-spline basis set. The core-valence electron correction is then treated in a semi-empirical core polarization potential. As an application, the polarization properties of alkali metal atoms, including the static polarizabilities and long-range two-body dispersion coefficients, have been calculated. Our results are in good agreement with the results obtained from ab initio relativistic many-body perturbation method and the available experimental measurements.

关键词: Dirac-Fock, core polarization, polarizabilities, alkali metal atoms

Abstract: A semi-empirical atomic structure model method is developed in the framework of a relativistic case. This method starts from Dirac-Fock calculations using B-spline basis set. The core-valence electron correction is then treated in a semi-empirical core polarization potential. As an application, the polarization properties of alkali metal atoms, including the static polarizabilities and long-range two-body dispersion coefficients, have been calculated. Our results are in good agreement with the results obtained from ab initio relativistic many-body perturbation method and the available experimental measurements.

Key words: Dirac-Fock, core polarization, polarizabilities, alkali metal atoms

中图分类号: (Polarizabilities and other atomic and molecular properties)

31.15.ap

31.15.bu (Semi-empirical and empirical calculations (differential overlap, Hückel, PPP methods, etc.)) 31.30.jc (Relativistic corrections to atomic structure and properties)

唐永波, 李承斌, 乔豪学. Calculations on polarization properties of alkali metal atoms using Dirac-Fock plus core polarization method[J]. 中国物理B, 2014, 23(6): 63101-063101.

Tang Yong-Bo (唐永波), Li Cheng-Bin (李承斌), Qiao Hao-Xue (乔豪学). Calculations on polarization properties of alkali metal atoms using Dirac-Fock plus core polarization method[J]. Chin. Phys. B, 2014, 23(6): 63101-063101.

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Calculations on polarization properties of alkali metal atoms using Dirac-Fock plus core polarization method

Calculations on polarization properties of alkali metal atoms using Dirac-Fock plus core polarization method

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