Fyzikální ústav Akademie věd ČR

Applications of quantum Monte Carlo methods in condensed systems

Quantum Monte Carlo methods represent a powerful and broadly applicable computational tool for finding very accurate solutions of the stationary Schrödinger equation for atoms, molecules, solids and a variety of model systems. The algorithms are intrinsically parallel and are able to take full advantage of present-day high-performance computing systems. This review paper concentrates on the fixed-node/fixed-phase diffusion Monte Carlo method with emphasis on its applications to the electronic structure of solids and other extended many-particle systems.

J. Kolorenč and L. Mitas, Rep. Prog. Phys. 74 (2011) 026502

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