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Computational Nanoscience, Lecture 20: Quantum Monte Carlo, part I

By Elif Ertekin1, Jeffrey C Grossman2

1. University of Illinois at Urbana-Champaign 2. Massachusetts Institute of Technology

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Abstract

This lecture provides and introduction to Quantum Monte Carlo methods. We review the concept of electron correlation and introduce Variational Monte Carlo methods as an approach to going beyond the mean field approximation. We describe briefly the Slater-Jastrow expansion of the wavefunction, and show how we can recover the some of the correlation energy using a variational approach to optimizing this form of the wavefunction.

Credits

Lucas K. Wagner
University of California, Berkeley

Cite this work

Researchers should cite this work as follows:

  • Elif Ertekin; Jeffrey C Grossman (2008), "Computational Nanoscience, Lecture 20: Quantum Monte Carlo, part I," https://nanohub.org/resources/4564.

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