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Green Function Techniques in the Treatment of Quantum Transport at the Molecular Scale

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Energy Transfer Dynamics in Biomaterial Systems

Part of the book series: Springer Series in Chemical Physics ((CHEMICAL,volume 93))

Abstract

The theoretical investigation of charge (and spin) transport at nanometer length scales requires the use of advanced and powerful techniques able to deal with the dynamical properties of the relevant physical systems, to explicitly include out-of-equilibrium situations typical for electrical/heat transport as well as to take into account interaction effects in a systematic way. Equilibrium Green function techniques and their extension to non-equilibrium situations via the Keldysh formalism build one of the pillars of current state-of-the-art approaches to quantum transport which have been implemented in both model Hamiltonian formulations and first-principle methodologies. In this chapter we offer a tutorial overview of the applications of Green functions to deal with some fundamental aspects of charge transport at the nanoscale, mainly focusing on applications to model Hamiltonian formulations.

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Authors and Affiliations

  1. Institute for Theoretical Physics, University of Regensburg, D-93040, Regensburg, Germany

    D. A. Ryndyk

  2. Institute for Material Science and Max Bergmann Center of Biomaterials, Dresden University of Technology, D-01062, Dresden, Germany

    R. Gutiérrez & G. Cuniberti

  3. Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai, 201800, P. R., China

    B. Song

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  1. Department de chimie, UMR 8642 due CNRS, Ecole Normale Superieure, rue Lhomond 24, Paris CX 05, 75231, France

    Irene Burghardt

  2. Institut für Physik, AG Halbleitertheorie, Humboldt-Univ. Berlin, Newtonstr. 15, Berlin, 12489, Germany

    V. May

  3. Physical Chemistry Division, University Florida, New Physics Building 2318, Gainesville, 32611-8435, USA

    David A. Micha

  4. Dept. Chemistry, University of Houston, Houston, 77204-5003, USA

    E. R. Bittner

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Ryndyk, D.A., Gutiérrez, R., Song, B., Cuniberti, G. (2009). Green Function Techniques in the Treatment of Quantum Transport at the Molecular Scale. In: Burghardt, I., May, V., Micha, D., Bittner, E. (eds) Energy Transfer Dynamics in Biomaterial Systems. Springer Series in Chemical Physics, vol 93. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-02306-4_9

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