Non-Born-Oppenheimer study of the muonic molecule ion 4Heμ+

doi:10.1088/1674-1056/ab7908

中国物理B ›› 2020, Vol. 29 ›› Issue (4): 43102-043102.doi: 10.1088/1674-1056/ab7908

• ATOMIC AND MOLECULAR PHYSICS • 上一篇下一篇

Non-Born-Oppenheimer study of the muonic molecule ion ⁴Heμ⁺

Hang Yang(杨航), Meng-Shan Wu(吴孟山), Yi Zhang(张屹), Ting-Yun Shi(史庭云), Kalman Varga, Jun-Yi Zhang(张俊义)

1 State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071, China;
2 University of Chinese Academy of Sciences, Beijing 100049, China;
3 Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235, USA

收稿日期:2020-01-02 修回日期:2020-02-05 出版日期:2020-04-05 发布日期:2020-04-05
通讯作者: Meng-Shan Wu E-mail:mswu@wipm.ac.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 11704399), the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB21030300), and the National Key Research and Development Program of China (Grant No. 2017YFA0304402).

Non-Born-Oppenheimer study of the muonic molecule ion ⁴Heμ⁺

Hang Yang(杨航)^1,2, Meng-Shan Wu(吴孟山)¹, Yi Zhang(张屹)^1,2, Ting-Yun Shi(史庭云)¹, Kalman Varga³, Jun-Yi Zhang(张俊义)¹

1 State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071, China;
2 University of Chinese Academy of Sciences, Beijing 100049, China;
3 Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235, USA

Received:2020-01-02 Revised:2020-02-05 Online:2020-04-05 Published:2020-04-05
Contact: Meng-Shan Wu E-mail:mswu@wipm.ac.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 11704399), the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB21030300), and the National Key Research and Development Program of China (Grant No. 2017YFA0304402).

摘要/Abstract

摘要： Accurate non-Born-Oppenheimer variational calculations of all bound states of the positive muon molecular ion ⁴Heμ⁺ have been performed using explicitly correlated Gaussian functions in conjunction with the global vectors. All the energies obtained are accurate in the order of 10^-6 Hartree (1 Hartree = 27.2114 eV). Compared with the binding energies obtained from calculations based on the Born-Oppenheimer potential with the mass-weighted adiabatic corrections (Chem. Phys. Lett. 110 487 (1984)), the largest relative deviation is up to 15%. By analyzing the average interparticle distances and possibility distributions of interparticle distances of this system, it is confirmed that the Born-Oppenheimer approximation is reasonable for this system and that ⁴Heμ⁺ can be regarded as a system of positive muon bound to a slightly distorted helium atom.

关键词: positive muon, variational calculation, explicitly correlated Gaussian

Abstract: Accurate non-Born-Oppenheimer variational calculations of all bound states of the positive muon molecular ion ⁴Heμ⁺ have been performed using explicitly correlated Gaussian functions in conjunction with the global vectors. All the energies obtained are accurate in the order of 10^-6 Hartree (1 Hartree = 27.2114 eV). Compared with the binding energies obtained from calculations based on the Born-Oppenheimer potential with the mass-weighted adiabatic corrections (Chem. Phys. Lett. 110 487 (1984)), the largest relative deviation is up to 15%. By analyzing the average interparticle distances and possibility distributions of interparticle distances of this system, it is confirmed that the Born-Oppenheimer approximation is reasonable for this system and that ⁴Heμ⁺ can be regarded as a system of positive muon bound to a slightly distorted helium atom.

Key words: positive muon, variational calculation, explicitly correlated Gaussian

中图分类号: (High-precision calculations for few-electron (or few-body) atomic systems)

31.15.ac

31.15.vn (Electron correlation calculations for diatomic molecules) 31.15.xt (Variational techniques)

杨航, 吴孟山, 张屹, 史庭云, Kalman Varga, 张俊义. Non-Born-Oppenheimer study of the muonic molecule ion ⁴Heμ⁺[J]. 中国物理B, 2020, 29(4): 43102-043102.

Hang Yang(杨航), Meng-Shan Wu(吴孟山), Yi Zhang(张屹), Ting-Yun Shi(史庭云), Kalman Varga, Jun-Yi Zhang(张俊义). Non-Born-Oppenheimer study of the muonic molecule ion ⁴Heμ⁺[J]. Chin. Phys. B, 2020, 29(4): 43102-043102.

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Non-Born-Oppenheimer study of the muonic molecule ion ⁴Heμ⁺

Non-Born-Oppenheimer study of the muonic molecule ion ⁴Heμ⁺

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