Condensed Matter Seminar Series

Quantum Monte Carlo Methods:
Applications and Insights into Many-Body Effects

Lubos Mitas

NC State University

Thursday April 22,  11:00am,  Room 298,  Physics Building

I will briefly introduce quantum Monte Carlo (QMC) methods for electronic structure calculations of materials, nanosystems, and other quantum systems such as ultracold condensates. The method has been applied to a variety of systems such as molecules, clusters, and solids with up to a few hundreds of valence electrons; it typically provides ~ 95% of the correlation effects.  QMC estimations of quantities such as cohesive energies, band gaps, energy differences between different structures, etc, typically agree with experiments within a few percent. Recent developments focused on reaching beyond the only fundamental approximation involved (the fixed-node approximation) by understanding the properties of fermion nodes and by employing pairing pfaffian wave functions will be discussed as well.

Host: Harold Baranger

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