2018/01/19 by Wenjie Dou, Joseph E. Subotnik
Engineering · Mathematics · Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #Classical mechanics #Equivalence (formal languages) #Liouville equation #Mathematical physics #Mathematics #Molecular Junctions and Nanostructures #Non-equilibrium thermodynamics #Physics #Pure mathematics #Quantum #Quantum and electron transport phenomena #Quantum mechanics #Universality (dynamical systems) #cond-mat.mes-hall #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.97.064303
published as Phys. Rev. B 97, 064303 (2018)
arxiv created 2018/01/19 · openalex publication_date 2018/02/14 · arxiv updated 2018/02/21 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
In a recent publication [W. Dou et al., Phys. Rev. Lett. 119, 046001 (2017)], using the quantum-classical Liouville equation (QCLE), we derived a very general form for the electronic friction felt by a molecule moving near one or many metal surfaces. Moreover, we have already proved the equivalence of the QCLE electronic friction with the Head-Gordon--Tully model as well as a generalized version of von Oppen's nonequilibrium Green's function (NEGF) method at equilibrium [W. Dou and J. E. Subotnik, Phys. Rev. B 96, 104305 (2017)]. In the present paper, we now further prove the equivalence between the QCLE friction and the NEGF friction for the case of multiple metal surfaces and an out-of-equilibrium electronic current without electron-electron interactions. The present results reinforce our recent claim that there is only one universal electronic friction tensor arising from the Born-Oppenheimer approximation.