Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 132, Issue 12, Pages -Publisher
AIP Publishing
DOI: 10.1063/1.3369647
Keywords
ab initio calculations; ground states; high-speed optical techniques; nitrogen compounds; photoelectron spectra; photoionisation; potential energy surfaces; time resolved spectra; triplet state
Funding
- Ministry of Education, Culture, Sports, Science and Technology of Japan
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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.
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