Systematic coarse-graining of environments for the non-perturbative simulation of open quantum systems
arXiv:2303.08982 · doi:10.1103/PhysRevLett.132.100403
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 non-perturbative simulation tools, our approach can reduce significantly the computational costs associated with many-body open system dynamics.
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