Calculating non-linear response functions for multi-dimensional electronic spectroscopy using dyadic non-Markovian quantum state diffusion

• URL: http://arxiv.org/abs/2207.02745v1
• Date: Wed, 6 Jul 2022 15:30:38 GMT
• Title: Calculating non-linear response functions for multi-dimensional electronic spectroscopy using dyadic non-Markovian quantum state diffusion
• Authors: Lipeng Chen, Doran I. G. Bennett and Alexander Eisfeld
• Abstract summary: We present a methodology for simulating multi-dimensional electronic spectra of molecular aggregates with coupling electronic excitation to a structured environment. A crucial aspect of our approach is that we propagate the NMQSD equation in a doubled system Hilbert space but with the same noise.
• Score: 68.8204255655161
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: We present a methodology for simulating multi-dimensional electronic spectra of molecular aggregates with coupling of electronic excitation to a structured environment using the stochastic non-Markovian quantum state diffusion (NMQSD) method in combination with perturbation theory for the response functions. A crucial aspect of our approach is that we propagate the NMQSD equation in a doubled system Hilbert space, but with the same noise. We demonstrate that our approach shows fast convergence with respect to the number of stochastic trajectories, providing a promising technique for numerical calculation of two-dimensional spectra of large molecular aggregates.

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