Theoretical Study of Interesting Fine-Structure Splittings Based on a Scenario for Precise Calculations
ZHANG Xiao-Le1, CHENG Cheng1, GAO Xiang1, LI Jia-Ming1,2
1Department of Physics, Shanghai Key Laboratory for Laser Fabrication and Material Science, Shanghai Jiaotong University, Shanghai 200240 2The Key Laboratory of Atomic and Molecular Nanosciences (Ministry of Education), Department of Physics, Tsinghua University, Beijing 100084
Theoretical Study of Interesting Fine-Structure Splittings Based on a Scenario for Precise Calculations
ZHANG Xiao-Le1, CHENG Cheng1, GAO Xiang1, LI Jia-Ming1,2
1Department of Physics, Shanghai Key Laboratory for Laser Fabrication and Material Science, Shanghai Jiaotong University, Shanghai 200240 2The Key Laboratory of Atomic and Molecular Nanosciences (Ministry of Education), Department of Physics, Tsinghua University, Beijing 100084
摘要Based on the multi-configuration Dirac-Fock self-consistent field method, a scenario has been presented to calculate the fine-structure energy levels of C2+ and Si2+ excited states (31 D2 and 33D1,2,3). The Breit interactions and quantum electrodynamics corrections are added as perturbations. The present calculation results are found to be in excellent agreement with the experimental data. By means of the precise calculation procedure, we elucidate that four competitive mechanisms influence the interesting fine-structure splittings in C2+ and Si2+, such as spin-orbit interactions, relativistic corrections of exchange interactions, the Breit interactions and electron correlation effects. Furthermore, the mechanism of relativistic correction of exchange interactions has been studied clearly. We elucidate that the inner shell 2p1/2,3/2 orbitals are essential to relativistic corrections of exchange interactions which are crucial for the final anomalous fine-structure splittings.
Abstract：Based on the multi-configuration Dirac-Fock self-consistent field method, a scenario has been presented to calculate the fine-structure energy levels of C2+ and Si2+ excited states (31 D2 and 33D1,2,3). The Breit interactions and quantum electrodynamics corrections are added as perturbations. The present calculation results are found to be in excellent agreement with the experimental data. By means of the precise calculation procedure, we elucidate that four competitive mechanisms influence the interesting fine-structure splittings in C2+ and Si2+, such as spin-orbit interactions, relativistic corrections of exchange interactions, the Breit interactions and electron correlation effects. Furthermore, the mechanism of relativistic correction of exchange interactions has been studied clearly. We elucidate that the inner shell 2p1/2,3/2 orbitals are essential to relativistic corrections of exchange interactions which are crucial for the final anomalous fine-structure splittings.
ZHANG Xiao-Le;CHENG Cheng;GAO Xiang;LI Jia-Ming;. Theoretical Study of Interesting Fine-Structure Splittings Based on a Scenario for Precise Calculations[J]. 中国物理快报, 2010, 27(3): 33101-033101.
ZHANG Xiao-Le, CHENG Cheng, GAO Xiang, LI Jia-Ming,. Theoretical Study of Interesting Fine-Structure Splittings Based on a Scenario for Precise Calculations. Chin. Phys. Lett., 2010, 27(3): 33101-033101.
[1] Gao X, Cheng C and Li J M 2009 (unpublished) [2] NIST Atomic Spectra Database (http://physics.nist.gov/ PhysRefData/ASD) [3]Yan J, Zhang P H, Tong X M and Li J M 1996 Acta Phys. Sin. 45 1978 (in Chinese) [4] Xia D, and Li J M 2001 Chin. Phys. Lett. 18 1334 [5] Wang X L et al 2008 Chin. Phys. Lett. 25 4244 [6] Qing B et al 2008 Chin. Phys. Lett. 25 2448 [7] Wang X L et al 2009 Chin. Phys. Lett. 26 043101 [8] Cheng C et al 2009 (unpublished) [9] J\"{onsson P et al 2007 Comput. Phys. Commun. 177 597 [10] Grant I P 1970 Adv. Phys. 19 747 [11] Desclaux J P 1975 Comput. Phys. Commun. 9 31 [12] Qing B, Cheng C, Gao X, Zhang X L and Li J M 2010 Acta. Phys. Sin. 59 6
2010, Vol. 27 
