Exchange-diffusion Monte Carlo

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• Michael Hutcheon
• Wednesday 23 October 2019, 11:30-12:30
• Mott Seminar Room, Cavendish Laboratory.

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Diffusion quantum Monte Carlo is a formally exact way to treat many-body quantum systems. Unfortunately, for electronic systems it suffers from the so-called fermion sign problem. In this talk I will demonstrate how the sign problem arises in a formally exact implementation of fermionic diffusion Monte Carlo. I will go on to demonstrate how this exercise informs the construction of alternative approximate (but asymptotically exact) methods to the popular fixed-node approximation.

This talk is part of the Electronic Structure Discussion Group series.

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