pith. sign in

arxiv: 2605.25320 · v1 · pith:DGMZQLQTnew · submitted 2026-05-25 · ⚛️ physics.chem-ph · cond-mat.str-el

A DMFT approach to evaluate electronic frictional effects near solid surfaces of strongly correlated systems

Yunhao Liu , Wenjie Dou This is my paper

Pith reviewed 2026-06-29 20:08 UTC · model grok-4.3

classification ⚛️ physics.chem-ph cond-mat.str-el
keywords electronicdmftdynamicsfrictionsolidapproachcorrelatedef-ld
0
0 comments X

The pith

Dynamical mean-field theory produces two peaks in electronic friction from Fermi-level resonances that mean-field theory cannot capture.

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

The paper applies dynamical mean-field theory to the two-dimensional Hubbard-Holstein model to compute electronic friction near solid surfaces of strongly correlated systems. DMFT yields two distinct friction peaks that arise when electron attachment and detachment processes resonate with the solid Fermi level, while mean-field theory produces no such structure. Electronic friction-Langevin dynamics simulations then show that the two methods predict markedly different time evolution of the electronic population. A reader would care because the discrepancies indicate that mean-field approximations break down for nonadiabatic dynamics once electron correlations become strong, a regime relevant to electrochemistry and molecular electronics.

Core claim

In the Hubbard-Holstein model, dynamical mean-field theory with the full density-matrix numerical renormalization group as impurity solver produces two peaks in the electronic friction coefficient that originate from resonances between the Fermi level and the attachment and detachment processes; mean-field theory misses these resonances entirely. When the friction is inserted into electronic friction-Langevin dynamics, the resulting trajectories exhibit substantial differences in electronic population evolution between the two approaches, demonstrating that mean-field theory is inadequate for nonadiabatic dynamics in strongly correlated systems.

What carries the argument

Dynamical mean-field theory applied to the Hubbard-Holstein model (with full density-matrix numerical renormalization group impurity solver) to obtain the electronic friction from Fermi-level attachment/detachment resonances.

If this is right

  • Electronic friction displays two distinct peaks tied to attachment and detachment resonances with the Fermi level.
  • Mean-field theory fails to reproduce the Fermi resonance structure in the friction.
  • EF-LD simulations reveal discrepancies concentrated in the electronic population dynamics.
  • The DMFT framework is computationally efficient enough to extend to a wide range of electrochemistry and molecular-electronics problems.

Where Pith is reading between the lines

These are editorial extensions of the paper, not claims the author makes directly.

  • The resonance peaks suggest that correlation-induced shifts in the effective level positions control the magnitude of nonadiabatic energy dissipation at interfaces.
  • Discrepancies in population evolution could alter predicted charge-transfer rates or steady-state currents once the same friction is used in open-system calculations.
  • The approach could be applied to Hubbard-Holstein models with inhomogeneous doping or external fields to test whether additional peaks appear.
  • Benchmarking the friction peaks against numerically exact methods on small clusters would quantify the size of the mean-field error.
  • keywords:[

Load-bearing premise

The full density-matrix numerical renormalization group serves as an accurate impurity solver for the DMFT calculations on the Hubbard-Holstein model.

What would settle it

A direct numerical computation showing only one friction peak or identical electronic population trajectories under both DMFT and mean-field theory in the same Hubbard-Holstein setup would falsify the central claim.

Figures

Figures reproduced from arXiv: 2605.25320 by Wenjie Dou, Yunhao Liu.

Figure 1
Figure 1. Figure 1: FIG. 1. (a) Electronic friction of the non-interacting lattice model ( [PITH_FULL_IMAGE:figures/full_fig_p005_1.png] view at source ↗
Figure 2
Figure 2. Figure 2: FIG. 2. (a) PMF and diabatic PESs as a function of position [PITH_FULL_IMAGE:figures/full_fig_p006_2.png] view at source ↗
Figure 3
Figure 3. Figure 3: FIG. 3. The results from EF-LD. (a) average kinetic energy; (b) electronic population in the impurity. The parameters are [PITH_FULL_IMAGE:figures/full_fig_p007_3.png] view at source ↗
read the original abstract

Electronic friction-Langevin dynamics (EF-LD) provides an efficient framework for capturing nonadiabatic effects at solid surfaces, with particular relevance to electrochemistry and molecular electronics. In this work, we investigate electronic friction in the two-dimensional Hubbard-Holstein model employing dynamical mean-field theory (DMFT), where the full density-matrix numerical renormalization group (FDM-NRG) serves as the impurity solver. Our results are benchmarked against mean-field theory (MFT). DMFT yields two distinct peaks in the electronic friction, arising from electron attachment/detachment resonances with the solid Fermi level, whereas MFT is unable to capture this Fermi resonance. We further examine the dynamics of electronic friction via EF-LD simulations. Our simulations uncover significant discrepancies mainly in the electronic population evolution predicted by MFT versus DMFT, indicating that MFT is inadequate for describing nonadiabatic dynamics in strongly correlated systems. Thanks to its flexibility and computational efficiency, the proposed DMFT-based approach can be readily extended to a broad range of applications.

Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, simulated authors' rebuttal, and a circularity audit. Tearing a paper down is the easy half of reading it; the pith above is the substance, this is the friction.

Referee Report

2 major / 1 minor

Summary. The manuscript applies dynamical mean-field theory (DMFT) with the full density-matrix numerical renormalization group (FDM-NRG) impurity solver to the two-dimensional Hubbard-Holstein model in order to compute electronic friction within the electronic friction-Langevin dynamics (EF-LD) framework. It reports that DMFT produces two distinct peaks in the electronic friction arising from electron attachment/detachment resonances with the solid Fermi level, while mean-field theory (MFT) fails to capture this resonance; EF-LD simulations then reveal significant discrepancies in electronic population evolution between the two approaches, leading to the conclusion that MFT is inadequate for nonadiabatic dynamics in strongly correlated systems. The DMFT-based method is presented as flexible and extensible.

Significance. If the numerical findings are robust, the work would establish that strong electronic correlations qualitatively alter electronic friction spectra near surfaces and produce observable differences in nonadiabatic population dynamics, thereby motivating the use of beyond-mean-field methods in electrochemistry and molecular electronics. The reliance on established DMFT and NRG techniques, together with the direct comparison to MFT on a standard model Hamiltonian, constitutes a clear methodological strength.

major comments (2)
  1. [Abstract, methods] Abstract and methods: the central numerical claims (two friction peaks from Fermi resonances and population discrepancies) are stated without any reported values of the Hubbard U or electron-phonon coupling strength, without convergence data for the DMFT self-consistency loop or NRG discretization, and without error estimates on the friction or population quantities. These omissions prevent independent assessment of whether the reported qualitative differences are reproducible or numerically stable.
  2. [Methods, results] The mapping from the 2D Hubbard-Holstein lattice to the DMFT impurity problem and the subsequent extraction of the electronic friction from the impurity spectral function are described at a high level only; explicit details on bath discretization, the precise definition of the friction coefficient within EF-LD, and how the attachment/detachment resonances are identified in the spectral function are required to confirm that the two-peak structure is not an artifact of the solver parameters.
minor comments (1)
  1. [Abstract] The abstract refers to “the proposed DMFT-based approach” but does not explicitly state the range of system sizes or temperatures at which the EF-LD trajectories were propagated.

Simulated Author's Rebuttal

2 responses · 0 unresolved

We thank the referee for their careful reading of the manuscript and for highlighting issues related to reproducibility and methodological detail. We address each major comment below and will revise the manuscript to incorporate the requested information.

read point-by-point responses

  1. Referee: [Abstract, methods] Abstract and methods: the central numerical claims (two friction peaks from Fermi resonances and population discrepancies) are stated without any reported values of the Hubbard U or electron-phonon coupling strength, without convergence data for the DMFT self-consistency loop or NRG discretization, and without error estimates on the friction or population quantities. These omissions prevent independent assessment of whether the reported qualitative differences are reproducible or numerically stable.

    Authors: We agree that explicit parameter values and numerical controls are necessary for reproducibility. In the revised manuscript we will report the specific values of the Hubbard U and electron-phonon coupling strength employed, include convergence data for the DMFT self-consistency loop and NRG discretization, and provide error estimates on the friction and population quantities. revision: yes

  2. Referee: [Methods, results] The mapping from the 2D Hubbard-Holstein lattice to the DMFT impurity problem and the subsequent extraction of the electronic friction from the impurity spectral function are described at a high level only; explicit details on bath discretization, the precise definition of the friction coefficient within EF-LD, and how the attachment/detachment resonances are identified in the spectral function are required to confirm that the two-peak structure is not an artifact of the solver parameters.

    Authors: We acknowledge that the current description is insufficiently explicit. The revised methods section will supply the concrete bath discretization scheme, the precise expression for the friction coefficient inside the EF-LD framework, and the operational criteria used to locate the attachment/detachment resonances in the spectral function, thereby allowing verification that the two-peak structure is not a solver artifact. revision: yes

Circularity Check

0 steps flagged

No significant circularity

full rationale

The paper applies the established DMFT self-consistency procedure with FDM-NRG impurity solver to the standard 2D Hubbard-Holstein Hamiltonian, then propagates the resulting electronic friction via EF-LD. The reported two-peak structure in friction and the MFT vs. DMFT population discrepancies are direct numerical outputs of these standard techniques; no parameter is fitted to the target observables and then relabeled as a prediction, no ansatz is smuggled via self-citation, and the central comparison does not reduce to a self-referential definition or uniqueness theorem supplied by the authors themselves. The derivation chain is therefore self-contained against external benchmarks.

Axiom & Free-Parameter Ledger

1 free parameters · 2 axioms · 0 invented entities

The central claim depends on the applicability of DMFT to a finite-dimensional lattice model and on the accuracy of the chosen impurity solver; both are standard but approximate techniques whose validity is assumed rather than re-derived.

free parameters (1)
  • Hubbard U and electron-phonon coupling strength
    Values are chosen by hand to place the model in the strongly correlated regime; they are not derived from the friction calculation itself.
axioms (2)
  • domain assumption Dynamical mean-field theory supplies a reliable approximation for the 2D Hubbard-Holstein model
    DMFT is applied to a two-dimensional lattice, where it is known to be approximate.
  • domain assumption Full density-matrix numerical renormalization group accurately solves the DMFT impurity problem for the chosen parameters
    FDM-NRG is invoked as the solver without additional validation steps described in the abstract.

pith-pipeline@v0.9.1-grok · 5712 in / 1502 out tokens · 50371 ms · 2026-06-29T20:08:11.412364+00:00 · methodology

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.

Reference graph

Works this paper leans on

67 extracted references · 67 canonical work pages

  1. [1]

    Huang , author C

    author author Y. Huang , author C. T. \ Rettner , author D. J. \ Auerbach ,\ and\ author A. M. \ Wodtke ,\ title title Vibrational promotion of electron transfer , \ https://doi.org/10.1126/science.290.5489.111 journal journal Science \ volume 290 ,\ pages 111--114 ( year 2000 ) ,\ https://arxiv.org/abs/https://www.science.org/doi/pdf/10.1126/science.290....

    work page doi:10.1126/science.290.5489.111 2000

  2. [2]

    Bünermann , author H

    author author O. Bünermann , author H. Jiang , author Y. Dorenkamp , author A. Kandratsenka , author S. M. \ Janke , author D. J. \ Auerbach ,\ and\ author A. M. \ Wodtke ,\ title title Electron-hole pair excitation determines the mechanism of hydrogen atom adsorption , \ https://doi.org/10.1126/science.aad4972 journal journal Science \ volume 350 ,\ page...

    work page doi:10.1126/science.aad4972 2015

  3. [3]

    Tanimura \ and\ author R

    author author Y. Tanimura \ and\ author R. Kubo ,\ title title Time evolution of a quantum system in contact with a nearly gaussian-markoffian noise bath , \ https://doi.org/10.1143/JPSJ.58.101 journal journal Journal of the Physical Society of Japan \ volume 58 ,\ pages 101--114 ( year 1989 ) ,\ https://arxiv.org/abs/https://doi.org/10.1143/JPSJ.58.101 h...

    work page doi:10.1143/jpsj.58.101 1989

  4. [4]

    author author Y. Tanimura ,\ title title Stochastic liouville, langevin, fokker–planck, and master equation approaches to quantum dissipative systems , \ https://doi.org/10.1143/JPSJ.75.082001 journal journal Journal of the Physical Society of Japan \ volume 75 ,\ pages 082001 ( year 2006 ) ,\ https://arxiv.org/abs/https://doi.org/10.1143/JPSJ.75.082001 h...

    work page doi:10.1143/jpsj.75.082001 2006

  5. [5]

    author author Y. Tanimura ,\ title title Numerically “exact” approach to open quantum dynamics: The hierarchical equations of motion (heom) , \ https://doi.org/10.1063/5.0011599 journal journal The Journal of Chemical Physics \ volume 153 ,\ pages 020901 ( year 2020 ) ,\ https://arxiv.org/abs/https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0011599/...

    work page doi:10.1063/5.0011599 2020

  6. [6]

    \ Meyer , author U

    author author H.-D. \ Meyer , author U. Manthe ,\ and\ author L. Cederbaum ,\ title title The multi-configurational time-dependent hartree approach , \ https://doi.org/https://doi.org/10.1016/0009-2614(90)87014-I journal journal Chemical Physics Letters \ volume 165 ,\ pages 73--78 ( year 1990 ) NoStop

    work page doi:10.1016/0009-2614(90)87014-i 1990

  7. [7]

    Manthe , author H

    author author U. Manthe , author H. Meyer ,\ and\ author L. S. \ Cederbaum ,\ title title Wave‐packet dynamics within the multiconfiguration hartree framework: General aspects and application to nocl , \ https://doi.org/10.1063/1.463007 journal journal The Journal of Chemical Physics \ volume 97 ,\ pages 3199--3213 ( year 1992 ) ,\ https://arxiv.org/abs/h...

    work page doi:10.1063/1.463007 1992

  8. [8]

    \ Meyer \ and\ author G

    author author H.-D. \ Meyer \ and\ author G. A. \ Worth ,\ title title Quantum molecular dynamics: propagating wavepackets and density operators using the multiconfiguration time-dependent hartree method , \ https://doi.org/10.1007/s00214-003-0439-1 journal journal Theoretical Chemistry Accounts \ volume 109 ,\ pages 251--267 ( year 2003 ) NoStop

    work page doi:10.1007/s00214-003-0439-1 2003

  9. [9]

    author author J. C. \ Tully ,\ title title Dynamics of gas–surface interactions: 3d generalized langevin model applied to fcc and bcc surfaces , \ https://doi.org/10.1063/1.440287 journal journal The Journal of Chemical Physics \ volume 73 ,\ pages 1975--1985 ( year 1980 ) ,\ https://arxiv.org/abs/https://pubs.aip.org/aip/jcp/article-pdf/73/4/1975/1892386...

    work page doi:10.1063/1.440287 1975

  10. [10]

    author author S. A. \ Adelman \ and\ author J. D. \ Doll ,\ title title Generalized langevin equation approach for atom/solid‐surface scattering: General formulation for classical scattering off harmonic solids , \ https://doi.org/10.1063/1.432526 journal journal The Journal of Chemical Physics \ volume 64 ,\ pages 2375--2388 ( year 1976 ) ,\ https://arxi...

    work page doi:10.1063/1.432526 1976

  11. [11]

    Hammes-Schiffer \ and\ author A

    author author S. Hammes-Schiffer \ and\ author A. V. \ Soudackov ,\ title title Proton-coupled electron transfer in solution, proteins, and electrochemistry , \ https://doi.org/10.1021/jp805876e journal journal The Journal of Physical Chemistry B \ volume 112 ,\ pages 14108--14123 ( year 2008 ) ,\ note pMID: 18842015 ,\ https://arxiv.org/abs/https://doi.o...

    work page doi:10.1021/jp805876e 2008

  12. [12]

    Ouyang , author J

    author author W. Ouyang , author J. G. \ Saven ,\ and\ author J. E. \ Subotnik ,\ title title A surface hopping view of electrochemistry: Non-equilibrium electronic transport through an ionic solution with a classical master equation , \ https://doi.org/10.1021/acs.jpcc.5b06655 journal journal The Journal of Physical Chemistry C \ volume 119 ,\ pages 2083...

    work page doi:10.1021/acs.jpcc.5b06655 2015

  13. [13]

    author author A. P. \ Willard , author S. K. \ Reed , author P. A. \ Madden ,\ and\ author D. Chandler ,\ title title Water at an electrochemical interface—a simulation study , \ https://doi.org/10.1039/B805544K journal journal Faraday Discuss. \ volume 141 ,\ pages 423--441 ( year 2009 ) NoStop

    work page doi:10.1039/b805544k 2009

  14. [14]

    Gosavi \ and\ author R

    author author S. Gosavi \ and\ author R. A. \ Marcus ,\ title title Nonadiabatic electron transfer at metal surfaces , \ https://doi.org/10.1021/jp9933673 journal journal The Journal of Physical Chemistry B \ volume 104 ,\ pages 2067--2072 ( year 2000 ) ,\ https://arxiv.org/abs/https://doi.org/10.1021/jp9933673 https://doi.org/10.1021/jp9933673 NoStop

    work page doi:10.1021/jp9933673 2067

  15. [15]

    \ Mohr \ and\ author W

    author author J.-H. \ Mohr \ and\ author W. Schmickler ,\ title title Exactly solvable quantum model for electrochemical electron-transfer reactions , \ https://doi.org/10.1103/PhysRevLett.84.1051 journal journal Phys. Rev. Lett. \ volume 84 ,\ pages 1051--1054 ( year 2000 ) NoStop

    work page doi:10.1103/physrevlett.84.1051 2000

  16. [16]

    author author S. W. \ Wu , author N. Ogawa , author G. V. \ Nazin ,\ and\ author W. Ho ,\ title title Conductance hysteresis and switching in a single-molecule junction , \ https://doi.org/10.1021/jp7114548 journal journal The Journal of Physical Chemistry C \ volume 112 ,\ pages 5241--5244 ( year 2008 ) ,\ https://arxiv.org/abs/https://doi.org/10.1021/jp...

    work page doi:10.1021/jp7114548 2008

  17. [17]

    author author N. J. \ Tao ,\ title title Electron transport in molecular junctions , \ https://doi.org/10.1038/nnano.2006.130 journal journal Nature Nanotechnology \ volume 1 ,\ pages 173--181 ( year 2006 ) NoStop

    work page doi:10.1038/nnano.2006.130 2006

  18. [18]

    Galperin , author M

    author author M. Galperin , author M. A. \ Ratner ,\ and\ author A. Nitzan ,\ title title Molecular transport junctions: vibrational effects , \ https://doi.org/10.1088/0953-8984/19/10/103201 journal journal Journal of Physics: Condensed Matter \ volume 19 ,\ pages 103201 ( year 2007 ) NoStop

    work page doi:10.1088/0953-8984/19/10/103201 2007

  19. [19]

    M\"uhlbacher \ and\ author E

    author author L. M\"uhlbacher \ and\ author E. Rabani ,\ title title Real-time path integral approach to nonequilibrium many-body quantum systems , \ https://doi.org/10.1103/PhysRevLett.100.176403 journal journal Phys. Rev. Lett. \ volume 100 ,\ pages 176403 ( year 2008 ) NoStop

    work page doi:10.1103/physrevlett.100.176403 2008

  20. [20]

    Nitzan \ and\ author M

    author author A. Nitzan \ and\ author M. A. \ Ratner ,\ title title Electron transport in molecular wire junctions , \ https://doi.org/10.1126/science.1081572 journal journal Science \ volume 300 ,\ pages 1384--1389 ( year 2003 ) ,\ https://arxiv.org/abs/https://www.science.org/doi/pdf/10.1126/science.1081572 https://www.science.org/doi/pdf/10.1126/scienc...

    work page doi:10.1126/science.1081572 2003

  21. [21]

    Kaasbjerg , author T

    author author K. Kaasbjerg , author T. c. v. \ Novotn\'y ,\ and\ author A. Nitzan ,\ title title Charge-carrier-induced frequency renormalization, damping, and heating of vibrational modes in nanoscale junctions , \ https://doi.org/10.1103/PhysRevB.88.201405 journal journal Phys. Rev. B \ volume 88 ,\ pages 201405 ( year 2013 ) NoStop

    work page doi:10.1103/physrevb.88.201405 2013

  22. [22]

    Siddiqui , author A

    author author L. Siddiqui , author A. W. \ Ghosh ,\ and\ author S. Datta ,\ title title Phonon runaway in carbon nanotube quantum dots , \ https://doi.org/10.1103/PhysRevB.76.085433 journal journal Phys. Rev. B \ volume 76 ,\ pages 085433 ( year 2007 ) NoStop

    work page doi:10.1103/physrevb.76.085433 2007

  23. [23]

    author author B. C. \ Krüger , author S. Meyer , author A. Kandratsenka , author A. M. \ Wodtke ,\ and\ author T. Schäfer ,\ title title Vibrational inelasticity of highly vibrationally excited no on ag(111) , \ https://doi.org/10.1021/acs.jpclett.5b02448 journal journal The Journal of Physical Chemistry Letters \ volume 7 ,\ pages 441--446 ( year 2016 ) ...

    work page doi:10.1021/acs.jpclett.5b02448 2016

  24. [24]

    Füchsel , author T

    author author G. Füchsel , author T. Klamroth , author S. Monturet ,\ and\ author P. Saalfrank ,\ title title Dissipative dynamics within the electronic friction approach: the femtosecond laser desorption of h2/d2 from ru(0001) , \ https://doi.org/10.1039/C0CP02086A journal journal Phys. Chem. Chem. Phys. \ volume 13 ,\ pages 8659--8670 ( year 2011 ) NoStop

    work page doi:10.1039/c0cp02086a 2011

  25. [25]

    author author R. J. \ Maurer , author B. Jiang , author H. Guo ,\ and\ author J. C. \ Tully ,\ title title Mode specific electronic friction in dissociative chemisorption on metal surfaces: h _ 2 on ag(111) , \ https://doi.org/10.1103/PhysRevLett.118.256001 journal journal Phys. Rev. Lett. \ volume 118 ,\ pages 256001 ( year 2017 ) NoStop

    work page doi:10.1103/physrevlett.118.256001 2017

  26. [26]

    author author S. P. \ Rittmeyer , author D. J. \ Ward , author P. G\"utlein , author J. Ellis , author W. Allison ,\ and\ author K. Reuter ,\ title title Energy dissipation during diffusion at metal surfaces: Disentangling the role of phonons versus electron-hole pairs , \ https://doi.org/10.1103/PhysRevLett.117.196001 journal journal Phys. Rev. Lett. \ v...

    work page doi:10.1103/physrevlett.117.196001 2016

  27. [27]

    Dou , author G

    author author W. Dou , author G. Miao ,\ and\ author J. E. \ Subotnik ,\ title title Born-oppenheimer dynamics, electronic friction, and the inclusion of electron-electron interactions , \ https://doi.org/10.1103/PhysRevLett.119.046001 journal journal Phys. Rev. Lett. \ volume 119 ,\ pages 046001 ( year 2017 ) NoStop

    work page doi:10.1103/physrevlett.119.046001 2017

  28. [28]

    Dou \ and\ author J

    author author W. Dou \ and\ author J. E. \ Subotnik ,\ title title Universality of electronic friction: Equivalence of von oppen's nonequilibrium green's function approach and the head-gordon--tully model at equilibrium , \ https://doi.org/10.1103/PhysRevB.96.104305 journal journal Phys. Rev. B \ volume 96 ,\ pages 104305 ( year 2017 ) NoStop

    work page doi:10.1103/physrevb.96.104305 2017

  29. [29]

    Dou \ and\ author J

    author author W. Dou \ and\ author J. E. \ Subotnik ,\ title title Universality of electronic friction. ii. equivalence of the quantum-classical liouville equation approach with von oppen's nonequilibrium green's function methods out of equilibrium , \ https://doi.org/10.1103/PhysRevB.97.064303 journal journal Phys. Rev. B \ volume 97 ,\ pages 064303 ( ye...

    work page doi:10.1103/physrevb.97.064303 2018

  30. [30]

    \ Bi \ and\ author W

    author author R.-H. \ Bi \ and\ author W. Dou ,\ title title Electronic friction near metal surface: Incorporating nuclear quantum effect with ring polymer molecular dynamics , \ https://doi.org/10.1063/5.0187646 journal journal The Journal of Chemical Physics \ volume 160 ,\ pages 074110 ( year 2024 ) ,\ https://arxiv.org/abs/https://pubs.aip.org/aip/jcp...

    work page doi:10.1063/5.0187646 2024

  31. [31]

    author author E. Y. \ Wilner , author H. Wang , author G. Cohen , author M. Thoss ,\ and\ author E. Rabani ,\ title title Bistability in a nonequilibrium quantum system with electron-phonon interactions , \ https://doi.org/10.1103/PhysRevB.88.045137 journal journal Phys. Rev. B \ volume 88 ,\ pages 045137 ( year 2013 ) NoStop

    work page doi:10.1103/physrevb.88.045137 2013

  32. [32]

    Lörtscher , author J

    author author E. Lörtscher , author J. W. \ Ciszek , author J. Tour ,\ and\ author H. Riel ,\ title title Reversible and controllable switching of a single-molecule junction , \ https://doi.org/https://doi.org/10.1002/smll.200600101 journal journal Small \ volume 2 ,\ pages 973--977 ( year 2006 ) ,\ https://arxiv.org/abs/https://onlinelibrary.wiley.com/do...

    work page doi:10.1002/smll.200600101 2006

  33. [33]

    Koch \ and\ author F

    author author J. Koch \ and\ author F. von Oppen ,\ title title Franck-condon blockade and giant fano factors in transport through single molecules , \ https://doi.org/10.1103/PhysRevLett.94.206804 journal journal Phys. Rev. Lett. \ volume 94 ,\ pages 206804 ( year 2005 ) NoStop

    work page doi:10.1103/physrevlett.94.206804 2005

  34. [34]

    Kisiel , author E

    author author M. Kisiel , author E. Gnecco , author U. Gysin , author L. Marot , author S. Rast ,\ and\ author E. Meyer ,\ title title Suppression of electronic friction on nb films in the superconducting state , \ https://doi.org/10.1038/nmat2936 journal journal Nature Materials \ volume 10 ,\ pages 119--122 ( year 2011 ) NoStop

    work page doi:10.1038/nmat2936 2011

  35. [35]

    Langer , author M

    author author M. Langer , author M. Kisiel , author R. Pawlak , author F. Pellegrini , author G. E. \ Santoro , author R. Buzio , author A. Gerbi , author G. Balakrishnan , author A. Baratoff , author E. Tosatti ,\ and\ author E. Meyer ,\ title title Giant frictional dissipation peaks and charge-density-wave slips at the nbse2 surface , \ https://doi.org/...

    work page doi:10.1038/nmat3836 2014

  36. [36]

    Plihal \ and\ author D

    author author M. Plihal \ and\ author D. C. \ Langreth ,\ title title Electronic friction in the presence of strong intra-atomic correlations for atoms moving near metal surfaces , \ https://doi.org/10.1103/PhysRevB.60.5969 journal journal Phys. Rev. B \ volume 60 ,\ pages 5969--5980 ( year 1999 ) NoStop

    work page doi:10.1103/physrevb.60.5969 1999

  37. [37]

    author author D. M. \ Kennes , author E. Y. \ Wilner , author D. R. \ Reichman ,\ and\ author A. J. \ Millis ,\ title title Transient superconductivity from electronic squeezing of optically pumped phonons , \ https://doi.org/10.1038/nphys4024 journal journal Nature Physics \ volume 13 ,\ pages 479--483 ( year 2017 ) NoStop

    work page doi:10.1038/nphys4024 2017

  38. [38]

    Plihal \ and\ author D

    author author M. Plihal \ and\ author D. C. \ Langreth ,\ title title Role of intra-adsorbate coulomb correlations in energy transfer at metal surfaces , \ https://doi.org/10.1103/PhysRevB.58.2191 journal journal Phys. Rev. B \ volume 58 ,\ pages 2191--2206 ( year 1998 ) NoStop

    work page doi:10.1103/physrevb.58.2191 1998

  39. [39]

    author author K. G. \ Wilson ,\ title title The renormalization group: Critical phenomena and the kondo problem , \ https://doi.org/10.1103/RevModPhys.47.773 journal journal Rev. Mod. Phys. \ volume 47 ,\ pages 773--840 ( year 1975 ) NoStop

    work page doi:10.1103/revmodphys.47.773 1975

  40. [40]

    Bulla , author T

    author author R. Bulla , author T. A. \ Costi ,\ and\ author T. Pruschke ,\ title title Numerical renormalization group method for quantum impurity systems , \ https://doi.org/10.1103/RevModPhys.80.395 journal journal Rev. Mod. Phys. \ volume 80 ,\ pages 395--450 ( year 2008 ) NoStop

    work page doi:10.1103/revmodphys.80.395 2008

  41. [41]

    Liu \ and\ author W

    author author Y. Liu \ and\ author W. Dou ,\ title title Electronic frictional effects near metal surfaces with strong correlations , \ https://doi.org/10.1063/5.0284238 journal journal APL Computational Physics \ volume 1 ,\ pages 026103 ( year 2025 ) ,\ https://arxiv.org/abs/https://pubs.aip.org/aip/aco/article-pdf/doi/10.1063/5.0284238/20728102/026103\...

    work page doi:10.1063/5.0284238 2025

  42. [42]

    author author S. R. \ White ,\ title title Density matrix formulation for quantum renormalization groups , \ https://doi.org/10.1103/PhysRevLett.69.2863 journal journal Phys. Rev. Lett. \ volume 69 ,\ pages 2863--2866 ( year 1992 ) NoStop

    work page doi:10.1103/physrevlett.69.2863 1992

  43. [43]

    author author S. R. \ White ,\ title title Density-matrix algorithms for quantum renormalization groups , \ https://doi.org/10.1103/PhysRevB.48.10345 journal journal Phys. Rev. B \ volume 48 ,\ pages 10345--10356 ( year 1993 ) NoStop

    work page doi:10.1103/physrevb.48.10345 1993

  44. [44]

    Schollw\"ock ,\ title title The density-matrix renormalization group , \ https://doi.org/10.1103/RevModPhys.77.259 journal journal Rev

    author author U. Schollw\"ock ,\ title title The density-matrix renormalization group , \ https://doi.org/10.1103/RevModPhys.77.259 journal journal Rev. Mod. Phys. \ volume 77 ,\ pages 259--315 ( year 2005 ) NoStop

    work page doi:10.1103/revmodphys.77.259 2005

  45. [45]

    author author U. Schollwöck ,\ title title The density-matrix renormalization group in the age of matrix product states , \ https://doi.org/https://doi.org/10.1016/j.aop.2010.09.012 journal journal Annals of Physics \ volume 326 ,\ pages 96--192 ( year 2011 ) ,\ note january 2011 Special Issue NoStop

    work page doi:10.1016/j.aop.2010.09.012 2010

  46. [46]

    Metzner \ and\ author D

    author author W. Metzner \ and\ author D. Vollhardt ,\ title title Correlated lattice fermions in d= dimensions , \ https://doi.org/10.1103/PhysRevLett.62.324 journal journal Phys. Rev. Lett. \ volume 62 ,\ pages 324--327 ( year 1989 ) NoStop

    work page doi:10.1103/physrevlett.62.324 1989

  47. [47]

    Jarrell ,\ title title Hubbard model in infinite dimensions: A quantum monte carlo study , \ https://doi.org/10.1103/PhysRevLett.69.168 journal journal Phys

    author author M. Jarrell ,\ title title Hubbard model in infinite dimensions: A quantum monte carlo study , \ https://doi.org/10.1103/PhysRevLett.69.168 journal journal Phys. Rev. Lett. \ volume 69 ,\ pages 168--171 ( year 1992 ) NoStop

    work page doi:10.1103/physrevlett.69.168 1992

  48. [48]

    Georges , author G

    author author A. Georges , author G. Kotliar , author W. Krauth ,\ and\ author M. J. \ Rozenberg ,\ title title Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions , \ https://doi.org/10.1103/RevModPhys.68.13 journal journal Rev. Mod. Phys. \ volume 68 ,\ pages 13--125 ( year 1996 ) NoStop

    work page doi:10.1103/revmodphys.68.13 1996

  49. [49]

    author author F. B. \ Anders \ and\ author A. Schiller ,\ title title Real-time dynamics in quantum-impurity systems: A time-dependent numerical renormalization-group approach , \ https://doi.org/10.1103/PhysRevLett.95.196801 journal journal Phys. Rev. Lett. \ volume 95 ,\ pages 196801 ( year 2005 ) NoStop

    work page doi:10.1103/physrevlett.95.196801 2005

  50. [50]

    author author F. B. \ Anders \ and\ author A. Schiller ,\ title title Spin precession and real-time dynamics in the kondo model: Time-dependent numerical renormalization-group study , \ https://doi.org/10.1103/PhysRevB.74.245113 journal journal Phys. Rev. B \ volume 74 ,\ pages 245113 ( year 2006 ) NoStop

    work page doi:10.1103/physrevb.74.245113 2006

  51. [51]

    Peters , author T

    author author R. Peters , author T. Pruschke ,\ and\ author F. B. \ Anders ,\ title title Numerical renormalization group approach to green's functions for quantum impurity models , \ https://doi.org/10.1103/PhysRevB.74.245114 journal journal Phys. Rev. B \ volume 74 ,\ pages 245114 ( year 2006 ) NoStop

    work page doi:10.1103/physrevb.74.245114 2006

  52. [52]

    Weichselbaum \ and\ author J

    author author A. Weichselbaum \ and\ author J. von Delft ,\ title title Sum-rule conserving spectral functions from the numerical renormalization group , \ https://doi.org/10.1103/PhysRevLett.99.076402 journal journal Phys. Rev. Lett. \ volume 99 ,\ pages 076402 ( year 2007 ) NoStop

    work page doi:10.1103/physrevlett.99.076402 2007

  53. [53]

    \ Fang , author N.-H

    author author T.-F. \ Fang , author N.-H. \ Tong , author Z. Cao , author Q.-F. \ Sun ,\ and\ author H.-G. \ Luo ,\ title title Spin susceptibility of anderson impurities in arbitrary conduction bands , \ https://doi.org/10.1103/PhysRevB.92.155129 journal journal Phys. Rev. B \ volume 92 ,\ pages 155129 ( year 2015 ) NoStop

    work page doi:10.1103/physrevb.92.155129 2015

  54. [54]

    Zhu , author D

    author author W. Zhu , author D. N. \ Sheng ,\ and\ author J.-X. \ Zhu ,\ title title Magnetic field dependent dynamics and field-driven metal-to-insulator transition of the half-filled hubbard model: A dmft+dmrg study , \ https://doi.org/10.1103/PhysRevB.96.085118 journal journal Phys. Rev. B \ volume 96 ,\ pages 085118 ( year 2017 ) NoStop

    work page doi:10.1103/physrevb.96.085118 2017

  55. [55]

    author author J. K. \ Freericks ,\ title title Dynamical mean-field theory for strongly correlated inhomogeneous multilayered nanostructures , \ https://doi.org/10.1103/PhysRevB.70.195342 journal journal Phys. Rev. B \ volume 70 ,\ pages 195342 ( year 2004 ) NoStop

    work page doi:10.1103/physrevb.70.195342 2004

  56. [56]

    Dobrosavljevi c \' c \ and\ author G

    author author V. Dobrosavljevi c \' c \ and\ author G. Kotliar ,\ title title Mean field theory of the mott-anderson transition , \ https://doi.org/10.1103/PhysRevLett.78.3943 journal journal Phys. Rev. Lett. \ volume 78 ,\ pages 3943--3946 ( year 1997 ) NoStop

    work page doi:10.1103/physrevlett.78.3943 1997

  57. [57]

    Potthoff \ and\ author W

    author author M. Potthoff \ and\ author W. Nolting ,\ title title Surface metal-insulator transition in the hubbard model , \ https://doi.org/10.1103/PhysRevB.59.2549 journal journal Phys. Rev. B \ volume 59 ,\ pages 2549--2555 ( year 1999 a ) NoStop

    work page doi:10.1103/physrevb.59.2549 1999

  58. [58]

    Potthoff \ and\ author W

    author author M. Potthoff \ and\ author W. Nolting ,\ title title Metallic surface of a mott insulator--mott insulating surface of a metal , \ https://doi.org/10.1103/PhysRevB.60.7834 journal journal Phys. Rev. B \ volume 60 ,\ pages 7834--7849 ( year 1999 b ) NoStop

    work page doi:10.1103/physrevb.60.7834 1999

  59. [59]

    Okamoto \ and\ author A

    author author S. Okamoto \ and\ author A. J. \ Millis ,\ title title Spatial inhomogeneity and strong correlation physics: A dynamical mean-field study of a model mott-insulator--band-insulator heterostructure , \ https://doi.org/10.1103/PhysRevB.70.241104 journal journal Phys. Rev. B \ volume 70 ,\ pages 241104(R) ( year 2004 ) NoStop

    work page doi:10.1103/physrevb.70.241104 2004

  60. [60]

    author author R. W. \ Helmes , author T. A. \ Costi ,\ and\ author A. Rosch ,\ title title Mott transition of fermionic atoms in a three-dimensional optical trap , \ https://doi.org/10.1103/PhysRevLett.100.056403 journal journal Phys. Rev. Lett. \ volume 100 ,\ pages 056403 ( year 2008 a ) NoStop

    work page doi:10.1103/physrevlett.100.056403 2008

  61. [61]

    author author R. W. \ Helmes , author T. A. \ Costi ,\ and\ author A. Rosch ,\ title title Kondo proximity effect: How does a metal penetrate into a mott insulator? \ https://doi.org/10.1103/PhysRevLett.101.066802 journal journal Phys. Rev. Lett. \ volume 101 ,\ pages 066802 ( year 2008 b ) NoStop

    work page doi:10.1103/physrevlett.101.066802 2008

  62. [62]

    Snoek , author I

    author author M. Snoek , author I. Titvinidze , author C. Tőke , author K. Byczuk ,\ and\ author W. Hofstetter ,\ title title Antiferromagnetic order of strongly interacting fermions in a trap: real-space dynamical mean-field analysis , \ https://doi.org/10.1088/1367-2630/10/9/093008 journal journal New Journal of Physics \ volume 10 ,\ pages 093008 ( yea...

    work page doi:10.1088/1367-2630/10/9/093008 2008

  63. [63]

    Chatterjee , author J

    author author B. Chatterjee , author J. Skolimowski , author K. Makuch ,\ and\ author K. Byczuk ,\ title title Real-space dynamical mean-field theory of friedel oscillations in strongly correlated electron systems , \ https://doi.org/10.1103/PhysRevB.100.115118 journal journal Phys. Rev. B \ volume 100 ,\ pages 115118 ( year 2019 ) NoStop

    work page doi:10.1103/physrevb.100.115118 2019

  64. [64]

    Bode , author S

    author author N. Bode , author S. V. \ Kusminskiy , author R. Egger ,\ and\ author F. von Oppen ,\ title title Current-induced forces in mesoscopic systems: A scattering-matrix approach , \ https://doi.org/10.3762/bjnano.3.15 journal journal Beilstein Journal of Nanotechnology \ volume 3 ,\ pages 144--162 ( year 2012 ) NoStop

    work page doi:10.3762/bjnano.3.15 2012

  65. [65]

    author author B. R. \ Landry \ and\ author J. E. \ Subotnik ,\ title title How to recover marcus theory with fewest switches surface hopping: Add just a touch of decoherence , \ https://doi.org/10.1063/1.4733675 journal journal The Journal of Chemical Physics \ volume 137 ,\ pages 22A513 ( year 2012 ) ,\ https://arxiv.org/abs/https://pubs.aip.org/aip/jcp/...

    work page doi:10.1063/1.4733675 2012

  66. [66]

    Aoki , author N

    author author H. Aoki , author N. Tsuji , author M. Eckstein , author M. Kollar , author T. Oka ,\ and\ author P. Werner ,\ title title Nonequilibrium dynamical mean-field theory and its applications , \ https://doi.org/10.1103/RevModPhys.86.779 journal journal Rev. Mod. Phys. \ volume 86 ,\ pages 779--837 ( year 2014 ) NoStop

    work page doi:10.1103/revmodphys.86.779 2014

  67. [67]

    Tsuji , author T

    author author N. Tsuji , author T. Oka ,\ and\ author H. Aoki ,\ title title Correlated electron systems periodically driven out of equilibrium: Floquet + DMFT formalism , \ https://doi.org/10.1103/PhysRevB.78.235124 journal journal Phys. Rev. B \ volume 78 ,\ pages 235124 ( year 2008 ) NoStop

    work page doi:10.1103/physrevb.78.235124 2008