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Single-Molecule Förster Resonance Energy Transfer Methods for Real-Time Investigation of the Holliday Junction Resolution by GEN1
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Green's function methods for single molecule junctions.

Guy Cohen1, Michael Galperin2

  • 1The Raymond and Beverley Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 69978, Israel.

The Journal of Chemical Physics
|January 22, 2021
PubMed
Summary
This summary is machine-generated.

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This review covers Green's function methods for open quantum systems, particularly single molecule junctions. It highlights approaches for weak interactions and coupling, and discusses advanced methods for complex systems.

Area of Science:

  • Quantum Mechanics
  • Condensed Matter Physics
  • Molecular Electronics

Background:

  • Experimental advances in molecular electronics have spurred theoretical interest.
  • Understanding open quantum systems out of equilibrium is crucial.
  • Green's function methods are powerful tools for theoretical analysis.

Purpose of the Study:

  • To provide a pedagogical review of theoretical Green's function methods.
  • To focus on applications to single molecule junctions.
  • To discuss various theoretical approaches for analyzing these systems.

Main Methods:

  • Review of standard nonequilibrium Green's function (NEGF) method.
  • Discussion of many-body flavors like pseudoparticle and Hubbard NEGF.
  • Introduction to the superperturbation dual fermion approach for intermediate regimes.

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  • Overview of numerically exact methods based on Green's functions.

    • Main Results:

    • Identified two characteristic energy scales: many-body interactions and molecule-contact coupling.
    • Demonstrated the utility of NEGF for weak interactions and coupling.
    • Showcased the superperturbation dual fermion approach for comparable energy scales.
    • Highlighted recent developments in numerically exact Green's function methods.

    Conclusions:

    • Green's function methods offer versatile approaches for studying open quantum systems.
    • Specific methods are well-suited for different regimes of interaction and coupling.
    • Advanced numerical techniques are extending the applicability of Green's functions to complex systems.