Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies

Stevanović, Vladan; Lany, Stephan; Zhang, Xiuwen; Zunger, Alex

doi:10.1103/PhysRevB.85.115104

Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies

Journal Article · Tue Mar 06 23:00:00 EST 2012 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.85.115104· OSTI ID:1104176

Stevanović, Vladan; Lany, Stephan; Zhang, Xiuwen; Zunger, Alex

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Sponsoring Organization:: USDOE

OSTI ID:: 1104176

Alternate ID(s):: OSTI ID: 1381527
OSTI ID: 1043748
OSTI ID: 1067190

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 11 Vol. 85; ISSN 1098-0121; ISSN PRBMDO

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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