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Title: Full-dimensional control of the radiationless decay in pyrazine using the dynamic Stark effect

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.
Authors:
; ;  [1] ; ;  [2]
  1. CTMM, Institut Charles Gerhardt Montpellier (UMR5253), CC 15001, Université Montpellier 2, F-34095 Montpellier, Cedex 05 (France)
  2. Laboratoire Interdisciplinaire Carnot de Bourgogne (UMR 6303) CNRS, Université de Bourgogne, BP 47870, F-21078 Dijon (France)
Publication Date:
OSTI Identifier:
22436541
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 13; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CONTROL; COUPLING; DEGREES OF FREEDOM; HAMILTONIANS; POTENTIAL ENERGY; RADIATIONLESS DECAY; STARK EFFECT; SURFACES; TIME DEPENDENCE; WAVE PACKETS