Computational Nanoscience, Lecture 21: Quantum Monte Carlo, part II
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Abstract
This is our second lecture in a series on Quantum Monte Carlo methods. We describe the Diffusion Monte Carlo approach here, in which the approximation to the solution is not restricted by choice of a functional form for the wavefunction. The DMC approach is explained, and the fixed node approximation is described as well. We conclude with a few examples demonstrating the application of VMC and DMC to methane and ethane.
Credits
Lucas K. Wagner
University of California, Berkeley
University of California, Berkeley
Cite this work
Researchers should cite this work as follows:
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Jeffrey C Grossman; Elif Ertekin (2008), "Computational Nanoscience, Lecture 21: Quantum Monte Carlo, part II," https://nanohub.org/resources/4566.