Quantum Monte Carlo studies of density functional theory

Maziar Nekovee, W.Matthew C. Foulkes and Richard J. Needs

Mathematics and Computers in Simulation (MATCOM), 2003, vol. 62, issue 3, 463-470

Abstract: We review our variational quantum Monte Carlo (VMC) approach for evaluating the key quantities in the density functional theory of inhomogeneous many-electron systems, and describe the underlying simulation algorithm and its parallel implementation. We discuss the insights gained from our recent application of the method to the study of the density functional theory (DFT) of the strongly inhomogeneous electron gas.

Keywords: Quantum Monte Carlo; Density functional; Exchange-correlation (search for similar items in EconPapers)
Date: 2003
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Persistent link: https://EconPapers.repec.org/RePEc:eee:matcom:v:62:y:2003:i:3:p:463-470

DOI: 10.1016/S0378-4754(02)00247-1

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