Charge transfer processes in low-energy Na+-Na collisions

doi:10.1088/1674-1056/ae15f0

中国物理B ›› 2026, Vol. 35 ›› Issue (4): 43402-043402.doi: 10.1088/1674-1056/ae15f0

Charge transfer processes in low-energy Na⁺-Na collisions

Cheng-Cheng Jiang(蒋承呈)¹, Xiao-Xia Wang(王小霞)^1,†, Kun Wang(王堃)², Yi-Zhi Qu(屈一至)³, Jian-Guo Wang(王建国)⁴, Xia Li(李侠)¹, Li Ma(马丽)¹, and Robert J. Buenker⁵

1 College of Physics, Chengdu University of Technology, Chengdu 610059, China;
2 Institute of Environmental Science, Shanxi University, Taiyuan 030006, China;
3 College of Material Sciences and Optoelectronic Technology, University of Chinese Academy of Sciences, Beijing 100049, China;
4 Data Center for High Energy Density Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China;
5 Fachbereich C-Mathematik und Naturwissenschaften, Bergische Universitat Wuppertal, D-42097 Wuppertal, Germany

收稿日期:2025-08-07 修回日期:2025-10-11 接受日期:2025-10-22 发布日期:2026-04-07
通讯作者: Xiao-Xia Wang E-mail:wangxx@cdut.edu.cn
基金资助:
This paper was supported by the National Natural Science Foundation of China (Grant Nos. 11774344, 12204288, and 12504293).

Charge transfer processes in low-energy Na⁺-Na collisions

Cheng-Cheng Jiang(蒋承呈)¹, Xiao-Xia Wang(王小霞)^1,†, Kun Wang(王堃)², Yi-Zhi Qu(屈一至)³, Jian-Guo Wang(王建国)⁴, Xia Li(李侠)¹, Li Ma(马丽)¹, and Robert J. Buenker⁵

1 College of Physics, Chengdu University of Technology, Chengdu 610059, China;
2 Institute of Environmental Science, Shanxi University, Taiyuan 030006, China;
3 College of Material Sciences and Optoelectronic Technology, University of Chinese Academy of Sciences, Beijing 100049, China;
4 Data Center for High Energy Density Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China;
5 Fachbereich C-Mathematik und Naturwissenschaften, Bergische Universitat Wuppertal, D-42097 Wuppertal, Germany

Received:2025-08-07 Revised:2025-10-11 Accepted:2025-10-22 Published:2026-04-07
Contact: Xiao-Xia Wang E-mail:wangxx@cdut.edu.cn
Supported by:
This paper was supported by the National Natural Science Foundation of China (Grant Nos. 11774344, 12204288, and 12504293).

摘要/Abstract

摘要： A comprehensive theoretical study of resonant and non-resonant charge transfer processes in the homonuclear Na$^+$ $+$ Na(3s) collision system is provided. The electronic structure of the quasi-molecular system is calculated using the multireference single- and double-excitation configuration interaction (MRD-CI) method under both one-electron (OEM) and thirteen-electron (TEM) models. The radial and rotational coupling matrix elements are obtained with careful inclusion of electron translation factors (ETFs). Based on these data, fully quantum-mechanical scattering calculations were performed using the fully quantum-mechanical molecular orbital close-coupling (QMOCC) method to derive state-selective and total cross sections for electron capture over a broad energy range (0.2-5600 eV/amu). The calculated resonant charge-transfer cross sections show excellent agreement with available theoretical and experimental results. Non-resonant processes, which involve electron capture into excited states of Na$^+$, are found to become increasingly important above several keV/amu. This work provides the first theoretical predictions for non-resonant state-selective cross sections in this system, offering a valuable reference for future experimental and theoretical studies in atomic collision physics.

关键词: charge transfer, resonant and non-resonant processes, QMOCC

Abstract: A comprehensive theoretical study of resonant and non-resonant charge transfer processes in the homonuclear Na$^+$ $+$ Na(3s) collision system is provided. The electronic structure of the quasi-molecular system is calculated using the multireference single- and double-excitation configuration interaction (MRD-CI) method under both one-electron (OEM) and thirteen-electron (TEM) models. The radial and rotational coupling matrix elements are obtained with careful inclusion of electron translation factors (ETFs). Based on these data, fully quantum-mechanical scattering calculations were performed using the fully quantum-mechanical molecular orbital close-coupling (QMOCC) method to derive state-selective and total cross sections for electron capture over a broad energy range (0.2-5600 eV/amu). The calculated resonant charge-transfer cross sections show excellent agreement with available theoretical and experimental results. Non-resonant processes, which involve electron capture into excited states of Na$^+$, are found to become increasingly important above several keV/amu. This work provides the first theoretical predictions for non-resonant state-selective cross sections in this system, offering a valuable reference for future experimental and theoretical studies in atomic collision physics.

Key words: charge transfer, resonant and non-resonant processes, QMOCC

中图分类号: (Charge transfer)

34.70.+e

34.20.-b (Interatomic and intermolecular potentials and forces, potential energy surfaces for collisions)

Cheng-Cheng Jiang(蒋承呈), Xiao-Xia Wang(王小霞), Kun Wang(王堃), Yi-Zhi Qu(屈一至), Jian-Guo Wang(王建国), Xia Li(李侠), Li Ma(马丽), and Robert J. Buenker. Charge transfer processes in low-energy Na⁺-Na collisions[J]. 中国物理B, 2026, 35(4): 43402-043402.

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Charge transfer processes in low-energy Na⁺-Na collisions

Charge transfer processes in low-energy Na⁺-Na collisions

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