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Overview of Computational Nanoscience: a UC Berkeley Course

Computational Nanoscience, Lecture 16: More and Less than Hartree-Fock

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Contributor(s) Jeffrey Grossman, Elif Ertekin
University of California, Berkeley
Abstract

In the lecture we discuss both techniques for going "beyond" Hartree-Fock in order to include correlation energy as well as techniques for capturing electronic structure effects while not having to solve the full Hartree-Fock equations (ie, semi-empirical methods). We also very briefly touch upon the pseudopotential approximation.

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  • Grossman, Jeffrey; Ertekin, Elif (2008), "Computational Nanoscience, Lecture 16: More and Less than Hartree-Fock", http://www.nanohub.org/resources/4505/, accessed on 2008-05-17 16:33:06.

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Date posted 05 May, 2008
Type Teaching Materials
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  • 9.1 Ranking Courses Overview of Computational Nanoscience: a UC Berkeley Course

    Overview of Computational Nanoscience: a UC Berkeley Course

    Type Courses
    Contributor(s) Jeffrey Grossman, Elif Ertekin
    Date 01 Feb, 2008
    Avg. Rating 5.0 out of 5 stars  (2)
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    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 …