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Hybrid functional / Local-density approximation / Science / Density functional theory / Crystal / Electronic band structure


PHYSICAL REVIEW LETTERS PRL 102, week ending 5 JUNE 2009
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Document Date: 2009-06-03 11:16:35


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City

Vienna / /

Company

NiO LDA / Slater LDA / G0 W0 GaN ZnO MnO LDA / Ge / unoccupied LDA / /

Country

Togo / Austria / /

Currency

pence / /

Event

Product Issues / /

Facility

Peter Blaha Institute of Materials Chemistry / Vienna University of Technology / /

IndustryTerm

large systems / exchange-correlation energy / larger band gap systems / correlated 3d transition-metal oxides / kinetic-energy density / /

OperatingSystem

DOS / /

Organization

BR BJ / Semilocal Exchange-Correlation Potential Fabien Tran and Peter Blaha Institute of Materials Chemistry / American Physical Society / Vienna University of Technology / Austrian Science Fund / /

Person

A. V. Krukau / M. Levy / J. P. Perdew / R. G. Parr / J. L. Balduz / Jr. / G. E. Scuseria / A. Savin / /

Product

WIEN2K / symmetry / /

ProvinceOrState

X1c / L1c / /

PublishedMedium

PHYSICAL REVIEW LETTERS / /

Technology

spectroscopy / semiconductors / x-ray / dielectric / /

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