Applications of quantum Monte Carlo methods in condensed systems
Jindrich Kolorenc, Lubos Mitas
TL;DR
This paper reviews the application of quantum Monte Carlo methods, especially fixed-node diffusion Monte Carlo, in accurately solving electronic structures of condensed matter systems using high-performance computing.
Contribution
It provides a comprehensive overview of the fixed-node diffusion Monte Carlo method and its applications to solids and extended many-particle systems.
Findings
Effective for accurate electronic structure calculations
Leverages high-performance parallel computing
Applicable to atoms, molecules, and solids
Abstract
The quantum Monte Carlo methods represent a powerful and broadly applicable computational tool for finding very accurate solutions of the stationary Schroedinger equation for atoms, molecules, solids and a variety of model systems. The algorithms are intrinsically parallel and are able to take full advantage of the present-day high-performance computing systems. This review article concentrates on the fixed-node/fixed-phase diffusion Monte Carlo method with emphasis on its applications to electronic structure of solids and other extended many-particle systems.
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