Electronic friction in interacting systems

Abstract

We consider effects of strong light-matter interaction on electronic friction in molecular junctions within generic model of single molecule nano cavity junction. Results of the Hubbard NEGF simulations are compared with mean-field NEGF and generalized Head-Gordon and Tully approaches.Mean-field NEGF is shown to fail qualitatively at strong intra-system interactions, while accuracy of the generalized Head-Gordon and Tully results is restricted to situations of well separated intramolecular excitations, when bath induced coherences are negligible. Numerical results show effects of bias and cavity mode pumping on electronic friction. We demonstrate non-monotonic behavior of the friction on the bias and intensity of the pumping field and indicate possibility of engineering friction control in single molecule junctions. * migalperin@ucsd.edu arXiv:1904.06781v1 [cond-mat.mes-hall]

Excitonic Coupled-cluster Theory: Part I, General Formalism

“…The excited-state regime may also be accessed via the established equation-of-motion formalism for linear response [84][85][86][87]. The ability to straightforwardly proceed from ground-state to excited-state calculations, on account of having a global wavefunction, is an important distinction, in contrast to incremental methods [12,13,88], which are formally exact fragment decompositions of the ground-state energy and properties only.…”

Green’s function methods for single molecule junctions

“…Another recent application of Hubbard NEGFs is in the derivation of current-induced nuclear forces: in particular, the nontrivial electronic friction force was evaluated. 468,469 Ref. 468 derives a general expression for the friction, applicable to any form and/or strength of electron-nuclei coupling.…”

Electron Transfer Methods in Open Systems

“…Thus, perturbative expansion in the system-baths couplings in each order yields product of two multi-time correlation functions: one for the system and one for the . The technique appears to be quite stable over wide range of parameters, 69 helpful in evaluation of electronic friction in junctions, 70,71 and useful as a convenient tool in first principles simulations of optoelectronic devices. [56][57][58] It is important to realize, however, that requirement of equilibrium character of the…”

“…53 for details). The technique appears to be quite stable over wide range of parameters, 69 helpful in evaluation of electronic friction in junctions, 70,71 and useful as a convenient tool in first principles simulations of optoelectronic devices. [56][57][58] It is important to realize, however, that requirement of equilibrium character of the uncoupled system density operator, Eq.…”