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DOE OSTI · 22436554

Quantum diffusion wave-function approach to two-dimensional vibronic spectroscopy

Wehner, Johannes·Falge, Mirjam·Engel, Volker·Strunz, Walter T.
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Abstract

We apply the quantum diffusion wavefunction approach to calculate vibronic two-dimensional (2D) spectra. As an example, we use a system consisting of two electronic states with harmonic oscillator potentials which are coupled to a bath and interact with three time-delayed laser pulses. The first- and second-order perturbative wave functions which enter into the expression for the third-order polarization are determined for a sufficient number of stochastic runs. The wave-packet approach, besides being an alternative technique to calculate the spectra, offers an intuitive insight into the dissipation dynamics and its relation to the 2D vibronic spectra.

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRYDIFFUSIONHARMONIC OSCILLATORSLASERSPOLARIZATIONPULSESSPECTRASPECTROSCOPYTWO-DIMENSIONAL CALCULATIONSWAVE FUNCTIONS

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Wehner, Johannes, Falge, Mirjam, Engel, Volker, Strunz, Walter T.. 2014-10-07. Quantum diffusion wave-function approach to two-dimensional vibronic spectroscopy. https://doi.org/10.1063/1.4896705

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