A multilayer multiconfiguration time-dependent Hartree study of the nonequilibrium Anderson impurity model at zero temperature

Wang, Haobin; Thoss, Michael

doi:10.1016/j.chemphys.2018.03.021

A multilayer multiconfiguration time-dependent Hartree study of the nonequilibrium Anderson impurity model at zero temperature

Journal Article · Wed Mar 21 04:00:00 EDT 2018 · Chemical Physics

DOI:https://doi.org/10.1016/j.chemphys.2018.03.021· OSTI ID:1543525

Wang, Haobin ^[1]; Thoss, Michael ^[2]

Univ. of Colorado, Denver, CO (United States); Beijing Computational Science Research Center (China)
Univ. of Freiburg (Germany)

Quantum transport is studied for the nonequilibrium Anderson impurity model at zero temperature employing the multilayer multiconfiguration time-dependent Hartree theory within the second quantization representation (ML-MCTDH-SQR) of Fock space. To address both linear and nonlinear conductance in the Kondo regime, two new techniques of the ML-MCTDH-SQR simulation methodology are introduced: (i) the use of correlated initial states, which is achieved by imaginary time propagation of the overall Hamiltonian at zero voltage and (ii) the adoption of the logarithmic discretization of the electronic continuum. Employing the improved methodology, the signature of the Kondo effect is analyzed.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of California, Oakland, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1543525

Alternate ID(s):: OSTI ID: 1692157

Journal Information:: Chemical Physics, Journal Name: Chemical Physics Journal Issue: C Vol. 509; ISSN 0301-0104

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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