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The KLL dielectronic recombination processes for highly charged krypton, iodine and barium ions
  • ISSN号:1674-1056
  • 期刊名称:《中国物理B:英文版》
  • 时间:0
  • 分类:O641.121[理学—物理化学;理学—化学] TN24[电子电信—物理电子学]
  • 作者机构:[1]Institution of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China, [2]College of Physical Science and Technology, Sichuan University, Chengdu 610065, China, [3]Key Laboratory of High Energy Density Physics and Technology (Ministry of Education), Sichuan University, Chengdu 610064, China
  • 相关基金:Project supported by the National Natural Science Foundation of China (Grant Nos. 11074176 and 10976019) and the Doctoral Program of Higher Education of China (Grant No. 20100181110080).
中文摘要:

By using first-principles simulations based on time-dependent density functional theory,the chemical reaction of an HCl molecule encapsulated in C60induced by femtosecond laser pulses is observed.The H atom starts to leave the Cl atom and is reflected by the C60wall.The coherent nuclear dynamic behaviors of bond breakage and recombination of the HCl molecule occurring in both polarized parallel and perpendicular to the H–Cl bond axis are investigated.The radial oscillation is also found in the two polarization directions of the laser pulse.The relaxation time of the H–Cl bond lengths in transverse polarization is slow in comparison with that in longitudinal polarization.Those results are important for studying the dynamics of the chemical bond at an atomic level.

英文摘要:

By using first-principles simulations based on time-dependent density functional theory, the chemical reaction of an HCl molecule encapsulated in C60 induced by femtosecond laser pulses is observed. The H atom starts to leave the Cl atom and is reflected by the C60 wall. The coherent nuclear dynamic behaviors of bond breakage and recombination of the HCl molecule occurring in both polarized parallel and perpendicular to the H-Cl bond axis are investigated. The radial oscillation is also found in the two polarization directions of the laser pulse. The relaxation time of the H-Cl bond lengths in transverse polarization is slow in comparison with that in longitudinal polarization. Those results are important for studying the dynamics of the chemical bond at an atomic level.

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期刊信息
  • 《中国物理B:英文版》
  • 中国科技核心期刊
  • 主管单位:中国科学院
  • 主办单位:中国物理学会和中国科学院物理研究所
  • 主编:欧阳钟灿
  • 地址:北京 中关村 中国科学院物理研究所内
  • 邮编:100080
  • 邮箱:
  • 电话:010-82649026 82649519
  • 国际标准刊号:ISSN:1674-1056
  • 国内统一刊号:ISSN:11-5639/O4
  • 邮发代号:
  • 获奖情况:
  • 国内外数据库收录:
  • 被引量:406