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Author Saab, Mohamad ♦ Lasorne, Benjamin ♦ Gatti, Fabien ♦ Sala, Matthieu ♦ Guérin, Stéphane
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS ♦ INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ♦ CONTROL ♦ COUPLING ♦ DEGREES OF FREEDOM ♦ HAMILTONIANS ♦ POTENTIAL ENERGY ♦ RADIATIONLESS DECAY ♦ STARK EFFECT ♦ SURFACES ♦ TIME DEPENDENCE ♦ WAVE PACKETS
Abstract We present a full quantum-mechanical study of the laser control of the radiationless decay between the B{sub 3u}(nπ{sup *}) and B{sub 2u}(ππ{sup *}) states of pyrazine using the dynamic Stark effect. In contrast to our previous study [Sala et al., J. Chem. Phys. 140, 194309 (2014)], where a four-dimensional model was used, all the 24 degrees of freedom are now included in order to test the robustness of the strategy of control. Using a vibronic coupling Hamiltonian model in a diabatic representation, the multi-layer version of the multi-configuration time-dependent Hartree method is exploited to propagate the corresponding wave packets. We still observe a trapping of the wavepacket on the B{sub 2u}(ππ{sup *}) potential energy surface due to the Stark effect for a longer time than the “non-resonant field-free” B{sub 2u}(ππ{sup *}) lifetime.
ISSN 00219606
Educational Use Research
Learning Resource Type Article
Publisher Date 2014-10-07
Publisher Place United States
Journal Journal of Chemical Physics
Volume Number 141
Issue Number 13


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