Quantum-mechanical modeling of the femtosecond isomerization in rhodopsin

Journal of Physical Chemistry B

Volumn 104, Issue 6, 2000, Pages 1146-1149

  Hahn, Susanne ^a   Stock, Gerhard ^a  

^a UNIVERSITY OF FREIBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001084973     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp992939g     Document Type: Article

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25. 0.
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30. 9 the time-dependent Schrödinger equation for the molecular Hamiltonian and the field-matter interaction has been solved numerically exactly. To this end, the state vector has been expanded in a direct-product basis constructed from the three diabatic electronic states, 150 free-rotor states for the reaction coordinate, and 24 harmonic-oscillator states for the coupling coordinate. This results in a system of 10 800 coupled first-order differential equations which are driven by the electric field of the laser pulses. The nonperturbative method allows for a direct simulation of an arbitrary nonlinear spectroscopic experiment, including effects of high intensities and overlapping pump and probe fields. Furthermore, it allows us to discriminate the individual spectroscopic processes such as ground-state bleach, stimulated emission, excited-state absorption, and product absorption.
31. trans(∞)].
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