Accurate total energies from the adiabatic-connection fluctuation-dissipation theorem

Woods, N. D., Entwistle, M. T. and Godby, R. W. orcid.org/0000-0002-1012-4176 (2021) Accurate total energies from the adiabatic-connection fluctuation-dissipation theorem. Physical Review B. 125126. ISSN 2469-9969

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Authors/Creators:
Copyright, Publisher and Additional Information: Funding Information: The authors thank Micheal Hutcheon for helpful discussions. N.D.W. is supported by the EPSRC Centre for Doctoral Training in Computational Methods for Materials Science for funding under Grant No. EP/L015552/1. We are grateful for computational support from the UK national high performance computing service, ARCHER, through the UKCP consortium under EPSRC Grant No. EP/P022596/1. © 2021 American Physical Society. This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy. Further copying may not be permitted; contact the publisher for details
Dates:
  • Accepted: 10 September 2021
  • Published: 17 September 2021
Institution: The University of York
Academic Units: The University of York > Faculty of Sciences (York) > Physics (York)
Depositing User: Pure (York)
Date Deposited: 08 Oct 2021 08:30
Last Modified: 04 Feb 2024 01:14
Published Version: https://doi.org/10.1103/PhysRevB.104.125126
Status: Published
Refereed: Yes
Identification Number: https://doi.org/10.1103/PhysRevB.104.125126
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Description: Accurate total energies from the adiabatic-connection fluctuation-dissipation theorem

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