Quantum Monte Carlo method for models of molecular nanodevices

Abstract

We introduce a quantum Monte Carlo technique to calculate exactly at finite temperatures the Green function of a fermionic quantum impurity coupled to a bosonic field. While the algorithm is general, we focus on the single impurity Anderson model coupled to a Holstein phonon as a schematic model for a molecular transistor. We compute the density of states at the impurity in a large range of parameters, to demonstrate the accuracy and efficiency of the method. We also obtain the conductance of the impurity model and analyze different regimes. The results show that even in the case when the effective attractive phonon interaction is larger than the Coulomb repulsion, a Kondo-like conductance behavior might be observed.

5 pages, 4 figures

References in corpus (2)

• Inelastic electron tunneling via molecular vibrations in single-molecule transistors
• Many Body Effects on the Transport Properties of Single-Molecule Devices

Cited by in corpus (32)

• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Pair tunneling through single molecules
• Inelastic effects in molecular junctions in the Coulomb and Kondo regimes: Nonequilibrium equation-of-motion approach
• Vibration-induced correction to the current through a single molecule
• Applying Adaptive Time-Dependent DMRG to Calculate the Conductance of Strongly Correlated Nanostructures
• Iterative summation of path integrals for nonequilibrium molecular quantum transport
• Bistability signatures in nonequilibrium charge transport through molecular quantum dots
• The Anderson--Holstein Model in Two Flavors of the Non--Crossing Approximation
• Current-induced switching in transport through anisotropic magnetic molecules
• Nonequilibrium charge-Kondo transport through negative-U molecules
• Long transient dynamics in the Anderson-Holstein model out of equilibrium
• Electronic Transport through Magnetic Molecules with Soft Vibrating Modes
• Fractional spin and Josephson effect in time-reversal-invariant topological superconductors
• Nonequilibrium transport through magnetic vibrating molecules
• Dressed tunneling approximation for electronic transport through molecular transistors
• Interpolative approach for electron-electron and electron-phonon interactions: from the Kondo to the polaronic regime
• Iterative path integral summation for nonequilibrium quantum transport
• Electron-Phonon Correlation Effects in Molecular Transistors
• Pair Tunneling and shot noise through a single molecule in a strong electron-phonon coupling
• Replicas of the Kondo peak due to electron-vibration interaction in molecular transport properties
• Dynamical magnetic anisotropy and quantum phase transitions in a vibrating spin-1 molecular junction
• Missing derivative discontinuity of the exchange-correlation energy for attractive interactions: the charge Kondo effect
• Destructive quantum interference in transport through molecules with electron-electron and electron-vibration interactions
• Bipolaronic blockade effect in quantum dots with negative charging energy
• Mesoscopic features in the transport properties of a Kondo-correlated quantum dot in a magnetic field
• Conductance of a quantum dot in the Kondo regime connected to dirty wires
• Pairing and polarization in systems with retarded interactions
• Transport in quantum spin Hall edges in contact to a quantum dot
• Electromechanical instability in vibrating quantum dots with effectively negative charging energy
• Quantum criticality and formation of a singular Fermi liquid in the attractive SU(N > 2) Anderson model
• Temperature effect in the conductance of hydrogen molecule
• Electron pair current through the correlated quantum dot