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Title: Currents and Green's functions of impurities out of equilibrium: Results from inchworm quantum Monte Carlo

Journal Article · · Physical Review B
 [1];  [2];  [2];  [3];  [2]
  1. Univ. of Michigan, Ann Arbor, MI (United States); DOE/OSTI
  2. Univ. of Michigan, Ann Arbor, MI (United States)
  3. Tel Aviv Univ. (Israel)

Here, we generalize the recently developed inchworm quantum Monte Carlo method to the full Keldysh contour with forward, backward, and equilibrium branches to describe the dynamics of strongly correlated impurity problems with time-dependent parameters. We introduce a method to compute Green's functions, spectral functions, and currents for inchworm Monte Carlo and show how systematic error assessments in real time can be obtained. We then illustrate the capabilities of the algorithm with a study of the behavior of quantum impurities after an instantaneous voltage quench from a thermal equilibrium state.

Research Organization:
Univ. of California, Oakland, CA (United States); Univ. of Michigan, Ann Arbor, MI (United States)
Sponsoring Organization:
Israel Science Foundation; USDOE; USDOE Office of Science (SC)
Grant/Contract Number:
AC02-05CH11231; SC0010342
OSTI ID:
1535861
Journal Information:
Physical Review B, Journal Name: Physical Review B Journal Issue: 8 Vol. 95; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (38)

The Anderson model with finite Coulomb repulsion journal December 1989
Updated core libraries of the ALPS project journal April 2017
Theory of electronic processes in atom scattering from surfaces journal June 1989
Localized Magnetic States in Metals journal October 1961
Derivation of a master equation for charge-transfer processes in atom-surface collisions journal February 1991
Diagrammatic Monte Carlo simulation of nonequilibrium systems journal January 2009
Real-time diagrammatic Monte Carlo for nonequilibrium quantum transport journal April 2009
Accessing thermodynamics from dynamical cluster-embedding approaches journal November 2009
Weak-coupling quantum Monte Carlo calculations on the Keldysh contour: Theory and application to the current-voltage characteristics of the Anderson model journal January 2010
Bold-line diagrammatic Monte Carlo method: General formulation and application to expansion around the noncrossing approximation journal August 2010
Green's functions from real-time bold-line Monte Carlo journal March 2014
Diagrammatic Monte Carlo for dual fermions journal July 2016
Determining the density of states for classical statistical models: A random walk algorithm to produce a flat histogram journal October 2001
Real-Time Path Integral Approach to Nonequilibrium Many-Body Quantum Systems journal May 2008
Steady-State Currents through Nanodevices: A Scattering-States Numerical Renormalization-Group Approach to Open Quantum Systems journal August 2008
Green’s Functions from Real-Time Bold-Line Monte Carlo Calculations: Spectral Properties of the Nonequilibrium Anderson Impurity Model journal April 2014
Taming the Dynamical Sign Problem in Real-Time Evolution of Quantum Many-Body Problems journal December 2015
Voltage Quench Dynamics of a Kondo System journal January 2016
Perturbation Technique for the Anderson Hamiltonian journal September 1970
Low-temperature transport through a quantum dot: The Anderson model out of equilibrium journal April 1993
Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States journal March 2001
Flat Histogram Methods for Quantum Systems: Algorithms to Overcome Tunneling Problems and Calculate the Free Energy journal March 2003
Nonequilibrium Dynamical Mean-Field Theory journal December 2006
Review of techniques in the large- N expansion for dilute magnetic alloys journal October 1987
Spins in few-electron quantum dots journal October 2007
Continuous-time Monte Carlo methods for quantum impurity models journal May 2011
Nonequilibrium dynamical mean-field theory and its applications journal June 2014
Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States text January 2001
Real-time path integral approach to nonequilibrium many-body quantum system text January 2007
Accessing thermodynamics from dynamical cluster-embedding approaches text January 2009
Weak-coupling quantum Monte Carlo calculations on the Keldysh contour: theory and application to the current-voltage characteristics of the Anderson model text January 2009
Bold Line Diagrammatic Monte Carlo Method: General formulation and application to expansion around the Non-Crossing Approximation text January 2010
Nonequilibrium dynamical mean-field theory and its applications text January 2013
Green's functions from real-time bold-line Monte Carlo text January 2014
Diagrammatic Monte Carlo for Dual Fermions text January 2016
Updated Core Libraries of the ALPS Project text January 2016
An efficient, multiple range random walk algorithm to calculate the density of states text January 2000
Low Temperature Transport through a Quantum Dot: The Anderson Model out of Equilibrium text January 1992

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