Extended quantum jump description of vibronic two-dimensional spectroscopy

doi:https://doi.org/10.1063/1.4919870

Article10.1063/1.4919870

Extended quantum jump description of vibronic two-dimensional spectroscopy

J. Albert,Mirjam Falge,Martin Keß,Johannes Wehner,Panpan Zhang,Alexander Eisfeld+1 more-2015-05-14-The Journal of Chemical Physics

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TL;DRAbstract

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.

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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.

Keywords

DephasingVibronic spectroscopyWave packetQuantumSpectral lineEigenvalues and eigenvectorsJumpWave function

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