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

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

Journal Article · Wed Mar 07 00:00:00 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

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

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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References (22)

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