Quantum Monte Carlo studies of density functional theory

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.

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Year of publication:	2003
Authors:	Nekovee, Maziar ; Foulkes, W. Matthew C. ; Needs, Richard J.
Published in:	Mathematics and Computers in Simulation (MATCOM). - Elsevier, ISSN 0378-4754. - Vol. 62.2003, 3, p. 463-470
Publisher:	Elsevier
Subject:	Quantum Monte Carlo \| Density functional \| Exchange-correlation

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Type of publication:	Article
Source:	RePEc - Research Papers in Economics

Persistent link: https://www.econbiz.de/10010748867