4.7 Article

Extended quantum jump description of vibronic two-dimensional spectroscopy

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JOURNAL OF CHEMICAL PHYSICS
卷 142, 期 21, 页码 -

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AMER INST PHYSICS
DOI: 10.1063/1.4919870

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  1. German Science Foundation [FOR 1809]

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We calculate two-dimensional (2D) vibronic spectra for a model system involving two electronic molecular states. The influence of a bath is simulated using a quantum-jump approach. We use a method introduced by Makarov and Metiu [J. Chem. Phys. 111, 10126 (1999)] which includes an explicit treatment of dephasing. In this way it is possible to characterize the influence of dissipation and dephasing on the 2D-spectra, using a wave function based method. The latter scales with the number of stochastic runs and the number of system eigenstates included in the expansion of the wave-packets to be propagated with the stochastic method and provides an efficient method for the calculation of the 2D-spectra. (C) 2015 AIP Publishing LLC.

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