Systematic Coarse Graining of Environments for the Nonperturbative Simulation of Open Quantum Systems.
arXiv (Cornell University)(2024)
Abstract
Conducting precise electronic-vibrational dynamics simulations of molecular systems poses significant challenges when dealing with realistic environments composed of numerous vibrational modes. Here, we introduce a technique for the construction of effective phonon spectral densities that capture accurately open-system dynamics over a finite time interval of interest. When combined with existing nonperturbative simulation tools, our approach can reduce significantly the computational costs associated with many-body open-system dynamics.
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Key words
quantum,simulation,coarse-graining,non-perturbative
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