4.6 Article

How to discretize a quantum bath for real-time evolution

Journal

PHYSICAL REVIEW B
Volume 92, Issue 15, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.92.155126

Keywords

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Funding

  1. Nanosystems Initiative Munich (NIM) [862050-2]
  2. Spanish MICINN [FIS2013-41352-P]
  3. DFG [FOR1807]

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Many numerical techniques for the description of quantum systems that are coupled to a continuous bath require the discretization of the latter. To this end, a wealth of methods has been developed in the literature, which we classify as (i) direct discretization, (ii) orthogonal polynomial, and (iii) numerical optimization strategies. We recapitulate strategies (i) and (ii) to clarify their relation. For quadratic Hamiltonians, we show that (ii) is the best strategy in the sense that it gives the numerically exact time evolution up to a maximum time t(max), for which we give a simple expression. For nonquadratic Hamiltonians, we show that no such best strategy exists. We present numerical examples relevant to open quantum systems and strongly correlated systems, as treated by dynamical mean-field theory (DMFT).

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