中国物理B ›› 2025, Vol. 34 ›› Issue (6): 63202-063202.doi: 10.1088/1674-1056/adcb9d

所属专题: SPECIAL TOPIC — Ultrafast physics in atomic, molecular and optical systems

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High-order harmonic generation of methane in an elliptically polarized field

Shu-Shan Zhou(周书山)1, Yu-Long Li(李玉龙)2, Zhi-Xue Zhao(赵志学)1, Man Xing(幸满)3, Nan Xu(许楠)1, Hao Wang(王浩)1, Jun Wang(王俊)3, Xi Zhao(赵曦)4, and Mu-Hong Hu(胡木宏)1,†   

  1. 1 School of Physics and Electronic Technology, Liaoning Normal University, Dalian 116029, China;
    2 Beijing Institute of Space Launch Technology, Beijing 100076, China;
    3 Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China;
    4 School of Physics and Information Technology, Shaanxi Normal University, Xi'an 710062, China
  • 收稿日期:2025-03-08 修回日期:2025-04-09 接受日期:2025-04-11 出版日期:2025-05-16 发布日期:2025-05-30
  • 通讯作者: Mu-Hong Hu E-mail:humuhong@163.com
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No. 12204214), the National Key Research and Development Program of China (Grant No. 2022YFE0134200), the Fundamental Research Funds for the Central Universities (Grant No. GK202207012), QCYRCXM-2022-241, and the Guangdong Basic and Applied Basic Research Foundation (Grant No. 2025A1515011117).

High-order harmonic generation of methane in an elliptically polarized field

Shu-Shan Zhou(周书山)1, Yu-Long Li(李玉龙)2, Zhi-Xue Zhao(赵志学)1, Man Xing(幸满)3, Nan Xu(许楠)1, Hao Wang(王浩)1, Jun Wang(王俊)3, Xi Zhao(赵曦)4, and Mu-Hong Hu(胡木宏)1,†   

  1. 1 School of Physics and Electronic Technology, Liaoning Normal University, Dalian 116029, China;
    2 Beijing Institute of Space Launch Technology, Beijing 100076, China;
    3 Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China;
    4 School of Physics and Information Technology, Shaanxi Normal University, Xi'an 710062, China
  • Received:2025-03-08 Revised:2025-04-09 Accepted:2025-04-11 Online:2025-05-16 Published:2025-05-30
  • Contact: Mu-Hong Hu E-mail:humuhong@163.com
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No. 12204214), the National Key Research and Development Program of China (Grant No. 2022YFE0134200), the Fundamental Research Funds for the Central Universities (Grant No. GK202207012), QCYRCXM-2022-241, and the Guangdong Basic and Applied Basic Research Foundation (Grant No. 2025A1515011117).

摘要: We performed real-time and real-space numerical simulations of high-order harmonic generation in the three-dimensional structured molecule methane (CH$_{4}$) using time-dependent density functional theory. By irradiating the methane molecule with an elliptically polarized laser pulse polarized in the \( x \)-\( y \) plane, we observed significant even-order harmonic emission in the \( z \)-direction. By analyzing the electron dynamics in the electric field and the multi-orbital effects of the molecule, we revealed that electron recombination near specific atoms in methane is the primary source of high-order harmonic generation in the \( z \)-direction. Furthermore, we identified the dominant molecular orbitals responsible for the enhancement of harmonics in this direction and demonstrated the critical role played by multi-orbital effects in this process.

关键词: high-order harmonic generation, elliptically polarized field, time-dependent density functional theory

Abstract: We performed real-time and real-space numerical simulations of high-order harmonic generation in the three-dimensional structured molecule methane (CH$_{4}$) using time-dependent density functional theory. By irradiating the methane molecule with an elliptically polarized laser pulse polarized in the \( x \)-\( y \) plane, we observed significant even-order harmonic emission in the \( z \)-direction. By analyzing the electron dynamics in the electric field and the multi-orbital effects of the molecule, we revealed that electron recombination near specific atoms in methane is the primary source of high-order harmonic generation in the \( z \)-direction. Furthermore, we identified the dominant molecular orbitals responsible for the enhancement of harmonics in this direction and demonstrated the critical role played by multi-orbital effects in this process.

Key words: high-order harmonic generation, elliptically polarized field, time-dependent density functional theory

中图分类号:  (Multiphoton ionization and excitation to highly excited states)

  • 32.80.Rm
42.50.Hz (Strong-field excitation of optical transitions in quantum systems; multiphoton processes; dynamic Stark shift) 42.65.Ky (Frequency conversion; harmonic generation, including higher-order harmonic generation)