Time-resolved photoelectron spectroscopy of wavepackets through a conical intersection in NO2

被引:102
|
作者
Arasaki, Yasuki [1 ]
Takatsuka, Kazuo [1 ]
Wang, Kwanghsi [2 ]
McKoy, Vincent [2 ]
机构
[1] Univ Tokyo, Grad Sch Arts & Sci, Dept Basic Sci, Tokyo 1538902, Japan
[2] CALTECH, Lab Mol Sci, Pasadena, CA 91125 USA
来源
JOURNAL OF CHEMICAL PHYSICS | 2010年 / 132卷 / 12期
关键词
ab initio calculations; ground states; high-speed optical techniques; nitrogen compounds; photoelectron spectra; photoionisation; potential energy surfaces; time resolved spectra; triplet state; POTENTIAL-ENERGY SURFACES; SCHWINGER VARIATIONAL PRINCIPLE; ULTRAFAST INTERNAL-CONVERSION; MULTIPHOTON IONIZATION; VIBRONIC LEVELS; DYNAMICS; PHOTOIONIZATION; MOLECULES; SPECTRUM; STATES;
D O I
10.1063/1.3369647
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We report the results of theoretical studies of the time-resolved femtosecond photoelectron spectroscopy of quantum wavepackets through the conical intersection between the first two (2)A(') states of NO2. The Hamiltonian explicitly includes the pump-pulse interaction, the nonadiabatic coupling due to the conical intersection between the neutral states, and the probe interaction between the neutral states and discretized photoelectron continua. Geometry- and energy-dependent photoionization matrix elements are explicitly incorporated in these studies. Photoelectron angular distributions are seen to provide a clearer picture of the ionization channels and underlying wavepacket dynamics around the conical intersection than energy-resolved spectra. Time-resolved photoelectron velocity map images are also presented.
引用
收藏
页数:10
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