A quantum Monte Carlo approach to the adiabatic connection method

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Title: A quantum Monte Carlo approach to the adiabatic connection method
Author(s): Nekovee, M
Foulkes, WMC
Williamson, AJ
Rajagopal, G
Needs, RJ
Item Type: Journal Article
Abstract: We present a new method for realizing the adiabatic connection approach in density functional theory, which is based on combining accurate variational quantum Monte Carlo calculations with a constrained optimization of the ground state many-body wavefunction for different values of the Coulomb coupling constant. We use the method to study an electron gas in the presence of a cosine-wave potential. For this system we present results for the exchange-correlation hole and exchange-correlation energy density, and compare our findings with those from the local density approximation and generalized gradient approximation. © 1999 Academic Press Inc.
Publication Date: 1-Dec-1998
URI: http://hdl.handle.net/10044/1/10087
DOI: http://dx.doi.org/10.1016/S0065-3276(08)60436-0
ISSN: 0065-3276
Publisher: Elsevier
Start Page: 189
End Page: 207
Journal / Book Title: Adv. Quantum Chem.
Volume: 33
Copyright Statement: © 1998 Elsevier Ltd All rights reserved. NOTICE: this is the author’s version of a work that was accepted for publication in Advances in Quantum Chemistry. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in ADVANCES IN QUANTUM CHEMISTRY, Vol.:33, (1998) DOI: http://dx.doi.org/10.1016/S0065-3276(08)60436-0.
Publication Status: Published
Appears in Collections:Condensed Matter Theory



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