Photodissociation dynamics of [H2---He]+ in intense light fields
Photodissociation dynamics of [H2---He]+ in intense light fields
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[H2---He]在强光场中的光解离动力学
DOI：
10.1103/physreva.94.063405
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发表时间：
2016
期刊：
影响因子：
--
通讯作者：
T. Szidarovszky and K. Yamanouchi
中科院分区：
文献类型：
--
作者：
Amir Pakdel;Takao Mori;Yoshio Bando;Dmitri Golberg;Ayesha A. Qureshi;T. Szidarovszky and K. Yamanouchi
用含时量子波包传输方法研究了弱束缚三原子分子在电磁辐射作用下的光致动力学。采用二维线性H-H-He模型，构造了三个最低的势能面(PESS)和相应的偶极矩表面。两个特征激发态中的一个导致电荷转移反应，另一个对应于被He扰动的第一激发态。当被暴露在飞秒强紫外光脉冲()下时，发现两个激发的PES都与光场耦合，各种反应路径被打开，从而产生HeH、He和。模拟还表明，与裸振动相比，两个伸缩振动模之间的非简谐耦合导致了温度对分解成的稳定。从原始气体和星际介质中化学反应的理论模型出发，讨论了由宇宙中最丰富的元素组成的星系形成的理论发现。
Photoinduced dynamics of a weakly bound triatomic moleculeexposed to electromagnetic radiation is investigated by time-dependent quantum wave-packet propagation. Adopting a two-dimensional linear H-H-He model, the three lowest-lying potential energy surfaces (PESs) and corresponding dipole moment surfaces are constructed. One of the two characteristic excited PESs ofleads to the charge-transfer reactionand the other corresponds to the first excited state ofperturbed by the presence of He. Whenis exposed to a femtosecond intense ultraviolet light pulse (), both of the two excited PESs are found to be coupled with the light field and a variety of reaction pathways become opened so that HeH,, He, andare produced. Simulations also show that the anharmonic coupling between the two stretching vibrational modes inleads to the stabilization of themoiety against the decomposition intocompared with bare. The theoretical findings of the formation ofcomposed of the most abundant elements in the universe are also discussed in view of the theoretical modeling of the chemical reactions proceeding in the primordial gas and in the interstellar medium.