Inequalities of the electron density at the nucleus and radial expectation values of the ground state for the lithium isoelectronic sequence

doi:10.1088/1009-1963/12/6/306

中国物理B ›› 2003, Vol. 12 ›› Issue (6): 604-609.doi: 10.1088/1009-1963/12/6/306

Inequalities of the electron density at the nucleus and radial expectation values of the ground state for the lithium isoelectronic sequence

陈超, 王治文

Department of Physics, Liaoning Normal University, Dalian 116029, China; Institute of Atomic and Molecular Physics, Jilin University, Changchun 130023, China

收稿日期:2002-12-12 修回日期:2003-01-27 出版日期:2003-06-16 发布日期:2005-03-16
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No 10174029), and by the Education Department of Liaoning Province, China (Grant No 200041010).

Inequalities of the electron density at the nucleus and radial expectation values of the ground state for the lithium isoelectronic sequence

Chen Chao (陈超), Wang Zhi-Wen (王治文)

Department of Physics, Liaoning Normal University, Dalian 116029, China; Institute of Atomic and Molecular Physics, Jilin University, Changchun 130023, China

Received:2002-12-12 Revised:2003-01-27 Online:2003-06-16 Published:2005-03-16
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No 10174029), and by the Education Department of Liaoning Province, China (Grant No 200041010).

摘要/Abstract

摘要： The electron density at the nucleus, ρ(0), and the radial expectation values, (-2≤n≤10), of the ground state for the lithium isoelectronic sequence are calculated with a full core plus correlation (FCPC) wavefunctions. By using these obtained expectation values, the accurate inequalities of the electron density at the nucleus and the radial expectation values derived by Gálvez and Porras for these systems are examined and verified. The final results show that FCPC wavefunctions used in this work can give satisfactory results in full configuration space.

Abstract: The electron density at the nucleus, $\rho(0)$, and the radial expectation values, $\langle r^n\rangle$ (-2≤n≤10), of the ground state for the lithium isoelectronic sequence are calculated with a full core plus correlation (FCPC) wavefunctions. By using these obtained expectation values, the accurate inequalities of the electron density at the nucleus and the radial expectation values derived by Gálvez and Porras for these systems are examined and verified. The final results show that FCPC wavefunctions used in this work can give satisfactory results in full configuration space.

Key words: electron density, radial expectation values, full core plus correlation

中图分类号: (Electron correlation calculations for atoms and ions: ground state)

31.15.ve

31.30.-i (Corrections to electronic structure)

陈超, 王治文. Inequalities of the electron density at the nucleus and radial expectation values of the ground state for the lithium isoelectronic sequence[J]. 中国物理B, 2003, 12(6): 604-609.

Chen Chao (陈超), Wang Zhi-Wen (王治文). Inequalities of the electron density at the nucleus and radial expectation values of the ground state for the lithium isoelectronic sequence[J]. Chinese Physics, 2003, 12(6): 604-609.

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Inequalities of the electron density at the nucleus and radial expectation values of the ground state for the lithium isoelectronic sequence

Inequalities of the electron density at the nucleus and radial expectation values of the ground state for the lithium isoelectronic sequence

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