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 · Wed Feb 29 23:00:00 EST 2012 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.85.115104· OSTI ID:1381527

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

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Inverse Design (CID)

Sponsoring Organization:: USDOE SC Office of Basic Energy Sciences (SC-22)

DOE Contract Number:: AC36-08GO28308

OSTI ID:: 1381527

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 11 Vol. 85; ISSN 1098-0121; ISSN PRBMDO

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

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