中国物理B ›› 2012, Vol. 21 ›› Issue (7): 73102-073102.doi: 10.1088/1674-1056/21/7/073102

• ATOMIC AND MOLECULAR PHYSICS • 上一篇    下一篇

Charge density at the nucleus and radial behavior of ground state for lithium-like ions with Z = 21 to 30

于伟威a, 王治文a b, 陈超c, 蔡娟b, 张楠b   

  1. a Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China;
    b School of Physics and Electronic Technology, Liaoning Normal University, Dalian 116029, China;
    c School of Physics, Beijing Institute of Technology, Beijing 100081, China
  • 收稿日期:2011-11-09 修回日期:2011-11-24 出版日期:2012-06-01 发布日期:2012-06-01
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No. 11074102).

Charge density at the nucleus and radial behavior of ground state for lithium-like ions with Z = 21 to 30

Yu Wei-Wei(于伟威)a), Wang Zhi-Wen(王治文)a)b)†, Chen Chao(陈超)c), Cai Juan(蔡娟) b), and Zhang Nan(张楠)b)   

  1. a Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China;
    b School of Physics and Electronic Technology, Liaoning Normal University, Dalian 116029, China;
    c School of Physics, Beijing Institute of Technology, Beijing 100081, China
  • Received:2011-11-09 Revised:2011-11-24 Online:2012-06-01 Published:2012-06-01
  • Contact: Wang Zhi-Wen E-mail:zh.w.wang@163.com
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No. 11074102).

摘要: By using the full core plus correlation (FCPC) type wave functions, the accurate charge densities ρ (0) at the nucleus and the radial expectation values of the ground states for the lithium-like systems with Z=21 to 30 are obtained. The determinantal conditions and the electron-nucleus cusp condition are used to calculate the inequalities of the upper and the lower bounds to ρ (0) with two or more expectation values. These inequalities derived by Angulo and Dehesa [Phys. Rev. A 44 1516 (1991)] are verified to be valid too for these ions with higher nuclear charge. The present results show that the wave functions used in this paper are satisfactory in the whole configuration space for these ions with higher nuclear charge.

关键词: electron density, radial expectation values, upper and lower bounds, full core plus correlation method

Abstract: By using the full core plus correlation (FCPC) type wave functions, the accurate charge densities ρ (0) at the nucleus and the radial expectation values of the ground states for the lithium-like systems with Z=21 to 30 are obtained. The determinantal conditions and the electron-nucleus cusp condition are used to calculate the inequalities of the upper and the lower bounds to ρ (0) with two or more expectation values. These inequalities derived by Angulo and Dehesa [Phys. Rev. A 44 1516 (1991)] are verified to be valid too for these ions with higher nuclear charge. The present results show that the wave functions used in this paper are satisfactory in the whole configuration space for these ions with higher nuclear charge.

Key words: electron density, radial expectation values, upper and lower bounds, full core plus correlation method

中图分类号:  (Calculations and mathematical techniques in atomic and molecular physics)

  • 31.15.-p
31.15.ac (High-precision calculations for few-electron (or few-body) atomic systems) 31.15.ve (Electron correlation calculations for atoms and ions: ground state)