Nonadiabatic molecular dynamics simulation of C2H22+ in a strong laser field

来源 :中国物理B(英文版) | 被引量 : 0次 | 上传用户:canghaiyuemenglong
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
We investigate the alignment dependence of the strong laser dissociation dynamics of molecule C2H22+in the frame of real-time and real-space time-dependent density function theory coupled with nonadiabatic quantum molecular dynamics(TDDFI-MD)simulation.This work is based on a recent experiment study “ultrafast electron diffraction imaging of bond breaking in di-ionized acetylene”[Wolter et al,Science 354,308-312(2016)].Our simulations are in excellent agreement with the experimental data and the analysis confirms that the alignment dependence of the proton dissociation dynamics comes from the electron response of the driving laser pulse.Our results validate the ability of the TDDFT-MD method to reveal the underlying mechanism of experimentally observed and control molecular dissociation dynamics.
其他文献
以酚醛树脂作为碳源,嵌段共聚物P123和正硅酸乙酯为造孔剂,用静电纺丝和软膜板的方法合成了具有介孔和微孔结构的多孔碳纤维材料.多孔碳纤维材料具有相同的丝的结构,直径大约
请下载后查看,本文暂不支持在线获取查看简介。 Please download to view, this article does not support online access to view profile.
期刊
We propose an on-chip reconfigurable micro-ring to engineer the spectral-purity of photons.The micro-ring resonator is designed to be coupled by one or two asym
氢化酶是微生物产氢的核心,模拟氢化酶的结构或功能实现人工可控的温和条件下的氢能生产,在清洁能源领域具有十分重要的意义.本文合成了四个新的仿生[FeFe]-氢化酶模型化合物
在提高传感器"3S"(灵敏度、选择性、长期稳定性)性能的途径中,掺杂和复合金属氧化物被认为是有效提高传感器的灵敏度和选择性的途径[1][2][3].以水滑石(LDHs)阴离子型层状黏
按照文献方法合成并表征了锰取代磷钼酸(Na7PMonMnO40,简写为PMonMn),并采用酶动力学方法研究其对酪氨酸酶的抑制作用[1-3].结果表明,PMo11Mn对酪氨酸酶有显著地抑制作用,IC5
The dynamics of produced excited carriers under the irradiation of Ge crystal is investigated theoretically by using femtosecond laser pulse.A two-temperature m