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

被引：104

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

页数：10

共 52 条

[1] THE EVOLUTION OF THE WAVE-FUNCTION IN A CURVE CROSSING PROBLEM COMPUTED BY A FAST FOURIER-TRANSFORM METHOD [J].