A Cartesian quasi-classical model to nonequilibrium quantum transport: The Anderson impurity model

Bin Li*, Tal J. Levy, David W.H. Swenson, Eran Rabani, William H. Miller

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

We apply the recently proposed quasi-classical approach for a second quantized many-electron Hamiltonian in Cartesian coordinates B. Li and W. H. Miller, J. Chem. Phys. 137, 154107 (2012)10.1063/1.4757935 to correlated nonequilibrium quantum transport. The approach provides accurate results for the resonant level model for a wide range of temperatures, bias, and gate voltages, correcting the flaws of our recently proposed mapping using action-angle variables. When electron-electron interactions are included, a Gaussian function scheme is required to map the two-electron integrals, leading to quantitative results for the Anderson impurity model. In particular, we show that the current mapping is capable of capturing quantitatively the Coulomb blockade effect and the temperature dependence of the current below and above the blockade.

Original languageEnglish
Article number104110
JournalJournal of Chemical Physics
Volume138
Issue number10
DOIs
StatePublished - 14 Mar 2013

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