Development of an exchange–correlation functional with uncertainty quantification capabilities for density functional theory

Journal Article · 31 March 2016 · Journal of Computational Physics

DOI: https://doi.org/10.1016/j.jcp.2016.01.034 · OSTI ID:1347460

Aldegunde, Manuel; Kermode, James R.; Zabaras, Nicholas

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• Sponsoring Organization: USDOE
• OSTI ID: 1347460
• Journal Information: Journal of Computational Physics, Journal Name: Journal of Computational Physics Journal Issue: C Vol. 311; ISSN 0021-9991
• Publisher: ElsevierCopyright Statement
• Country of Publication: United States
• Language: English