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Overview of Computational Nanoscience: a UC Berkeley Course

Computational Nanoscience, Lecture 26: Life Beyond DFT -- Computational Methods for Electron Correlations, Excitations, and Tunneling Transport

This resource has a 9.3 Ranking

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Last 12 Months: updated 01 Nov, 2008
Users: 31
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Avg. Review: 5.0 out of 5 stars
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Contributor(s) Jeffrey B. Neaton
Molecular Foundry, Lawrence Berkeley National Laboratory
Abstract

In this lecture, we provide a brief introduction to "beyond DFT" methods for studying excited state properties, optical properties, and transport properties. We discuss how the GW approximation to the self-energy corrects the quasiparticle excitations energies predicted by Kohn-Sham DFT. For optical properties, we discuss the Bethe-Salpeter Equation. We finally provide an example demonstrating the use of the Landauer formalism for exploring transport properties.

Credits Jeffrey B. Neaton
University of California, Berkeley
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  • Neaton, Jeffrey B. (2008), "Computational Nanoscience, Lecture 26: Life Beyond DFT -- Computational Methods for Electron Correlations, Excitations, and Tunneling Transport," http://www.nanohub.org/resources/4574/.

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Date posted 20 May, 2008
Type Teaching Materials
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  1. 5.0 out of 5 stars 

    Posted on 25 June, 2008 by Anonymous

See also

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  • 9.5 Ranking Courses Part of: Overview of Computational Nanoscience: a UC Berkeley Course

    Overview of Computational Nanoscience: a UC Berkeley Course

    Type Courses
    Contributor(s) Jeffrey C Grossman, Elif Ertekin
    Date 01 Feb, 2008
    Avg. Rating 5.0 out of 5 stars  (4)
    Rate this

    This course will provide students with the fundamentals of computational problem-solving techniques that are used to understand and predict properties of nanoscale systems. Emphasis will be placed on how to use simulations effectively, intelligently, and cohesively to predict properties that occur …

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