Energy levels of 1s2nd (n ≤ 9) states for lithium-like ions

doi:10.1088/1674-1056/20/8/083101

中国物理B ›› 2011, Vol. 20 ›› Issue (8): 83101-083101.doi: 10.1088/1674-1056/20/8/083101

Energy levels of 1s²nd (n ≤ 9) states for lithium-like ions

胡木宏, 王治文, 曾凡伟, 王涛, 王晶

School of Physics and Electronic Technology, Liaoning Normal University, Dalian 116029, China

收稿日期:2010-12-08 修回日期:2011-03-06 出版日期:2011-08-15 发布日期:2011-08-15
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 11074102) and the Natural Science Foundation of Liaoning Province of China (Grant No. 20092172).

Energy levels of 1s²nd (n ≤ 9) states for lithium-like ions

Hu Mu-Hong(胡木宏)^†, Wang Zhi-Wen(王治文), Zeng Fan-Wei(曾凡伟), Wang Tao(王涛), and Wang Jing(王晶)

School of Physics and Electronic Technology, Liaoning Normal University, Dalian 116029, China

Received:2010-12-08 Revised:2011-03-06 Online:2011-08-15 Published:2011-08-15
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 11074102) and the Natural Science Foundation of Liaoning Province of China (Grant No. 20092172).

摘要/Abstract

摘要： The full-core plus correlation method with multi-configuration interaction wave functions is extended to the calculation of the non-relativistic energies of 1s²nd (n ≤ 9) states for the lithium isoelectronic sequence from Z = 11 to 20. Relativistic and mass-polarization effects on the energy are calculated as the first-order perturbation correction. The quantum-electrodynamics correction is also included. The fine structure splittings are determined from the expectation values of spin—orbit and spin—other-orbit interaction operators in the Pauli—Breit approximation. Combining the term energies of lowly excited states obtained with the quantum defects calculated by the single channel quantum defect theory, each of which is a smooth function of energy and approximated by a weakly varying function of energy, the ion potentials of highly excited states (n ≤ 6) are obtained with the semi-empirical iteration method. The results are compared with experimental data in the literature and found to be closely consistent with the regularity.

关键词: lithium-like ions, excited states, quantum defect theory, quantum defect

Abstract: The full-core plus correlation method with multi-configuration interaction wave functions is extended to the calculation of the non-relativistic energies of 1s²nd (n ≤ 9) states for the lithium isoelectronic sequence from Z = 11 to 20. Relativistic and mass-polarization effects on the energy are calculated as the first-order perturbation correction. The quantum-electrodynamics correction is also included. The fine structure splittings are determined from the expectation values of spin—orbit and spin—other-orbit interaction operators in the Pauli—Breit approximation. Combining the term energies of lowly excited states obtained with the quantum defects calculated by the single channel quantum defect theory, each of which is a smooth function of energy and approximated by a weakly varying function of energy, the ion potentials of highly excited states (n $\ge$ 6) are obtained with the semi-empirical iteration method. The results are compared with experimental data in the literature and found to be closely consistent with the regularity.

Key words: lithium-like ions, excited states, quantum defect theory, quantum defect

中图分类号: (Relativistic corrections, spin-orbit effects, fine structure; hyperfine structure)

31.15.aj

31.30.J- (Relativistic and quantum electrodynamic (QED) effects in atoms, molecules, and ions) 31.30.jc (Relativistic corrections to atomic structure and properties)

胡木宏, 王治文, 曾凡伟, 王涛, 王晶. Energy levels of 1s²nd (n ≤ 9) states for lithium-like ions[J]. 中国物理B, 2011, 20(8): 83101-083101.

Hu Mu-Hong(胡木宏), Wang Zhi-Wen(王治文), Zeng Fan-Wei(曾凡伟), Wang Tao(王涛), and Wang Jing(王晶). Energy levels of 1s²nd (n ≤ 9) states for lithium-like ions[J]. Chin. Phys. B, 2011, 20(8): 83101-083101.

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Energy levels of 1s²nd (n ≤ 9) states for lithium-like ions

Energy levels of 1s²nd (n ≤ 9) states for lithium-like ions

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