The unimportance of memory for the time non-local components of the Kadanoff-Baym equations

ORAL

Abstract

The Kadanoff-Baym equations(KBE) offer a theoretically exact approach for propagating Green's functions under the action of a time-dependent Hamiltonian. The dependence of these equations on the time-nonlocal self-energy (corresponding to memory effects) means that the KBEs are prohibitively expensive to solve in most scenarios. The generalized Kadanoff-Baym ansatz in turn neglects certain memory effects and reduces the numerical scaling from cubic to linear in the number of time steps in the propagation. In this talk, we investigate the validity of the approximation made in the derivation of the GKBA. We provide arguments and numerical evidence that the neglected terms are typically orders of magnitude smaller than the terms that are left. Furthermore, we provide a mathematical proof that bounds the neglected terms further reinforcing that these terms are typically small in comparison to terms that are kept in the GKBA. We test our arguments for several models, including different non-equilibrium excitations, filling fractions, system sizes, and different forms of the Hamiltonian with a variable range of interactions. In almost all cases the observation remains the same. For systems that are well captured by a particular self-energy at equilibrium, the quantities derived from the density matrix are well captured by the GKBA.

* This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research and Office of Basic Energy Sciences, Scientific Discovery through Advanced Computing (SciDAC) program under Award Number DE-SC0022198. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 using NERSC award BES-ERCAP0020089.

Publication: Unimportance of memory for the time nonlocal components of the Kadanoff-Baym equations, https://doi.org/10.1103/PhysRevB.108.115152

Presenters

  • Cian C Reeves

    University of California, Santa Barbara

Authors

  • Cian C Reeves

    University of California, Santa Barbara

  • Vojtech Vlcek

    University of California, Santa Barbara

  • Yuanran Zhu

    Lawrence Berkeley national lab

  • Chao Yang

    Lawrence Berkeley Laboratory, Lawrence Berkeley National Laboratory, Lawrence Berkeley national lab