Electron Transfer Methods in Open Systems
arXiv:1906.07827 · doi:10.1021/acs.jpcb.9b05813
Abstract
Utilization of electron transfer methods for description of quantum transport is popular due to simplicity of the formulation and its ability to account for basic physics of electron exchange between system and baths. At the same time, necessity to go beyond simple golden rule-type expressions for rates was indicated in the literature and ad hoc formulations were proposed. Similarly, kinetic schemes for quantum transport beyond usual second order Lindblad/Redfield considerations were discussed. Here we utilize recently introduced by us nonequilibrium Hubbard Green's functions diagrammatic technique to analyze construction of rates in open systems. We show that previous considerations for rates of second and fourth order can be obtained as a particular case of zero and second order Green's function diagrammatic series with bare diagrams. We discuss limitations of previous considerations, stress advantages of the Hubbard Green's function approach in constructing the rates and indicate that standard dressing of the diagrams is a natural way to account for additional baths/degrees of freedom when formulating generalized expressions for the rates.
arXiv comment28 pages, 3 figures, 23 pages supporting information
References in corpus (19)
- Physical approaches to DNA sequencing and detection
- A relationship between electron transfer rates and molecular conduction
- Kinetic Equations for Transport Through Single-Molecule Transistors
- Could humans recognize odor by phonon assisted tunneling?
- Density-operator approaches to transport through interacting quantum dots: Simplifications in fourth-order perturbation theory
- Irreversibility and hysteresis in redox molecular conduction junctions
- Nonequilibrium isolated molecule limit
- Electron transfer across a thermal gradient
- Photonics and Spectroscopy in Nanojunctions: A Theoretical Insight
- Non-equilibrium theory for strongly coupled quantum dot with arbitrary on-site correlation strength
- Current-induced forces for nonadiabatic molecular dynamics
- Electrothermal Transistor Effect and Cyclic Electronic Currents in Multithermal Charge Transfer Networks
- Theory of strongly correlated f and d-electron systems. I. Exact Hamiltonian, Hubbard-Anderson models and perturbation theory near atomic limit within non-orthogonal basis set
- Towards Noise Simulation in Interacting Nonequilibrium Systems Strongly Coupled to Baths
- Nonequilibrium diagrammatic technique for Hubbard Green functions
- Electronic friction in interacting systems
- Kinetic Schemes in Open Interacting Systems
- Hubbard NEGF Analysis of Photocurrent in Nitroazobenzene Molecular Junction
- On optical spectroscopy of molecular junctions
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- Green's function methods for single molecule junctions
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