U and Xe transport in UO$ {}_{2\pm x}$: Density functional theory calculations

Andersson, D A; Uberuaga, B P; Nerikar, P V; ünal, C; Stanek, C R

doi:10.1103/PhysRevB.84.054105

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U and Xe transport in UO${}_{2\pm x}$: Density functional theory calculations

Author(s): D. A. Andersson , B. P. Uberuaga , P. V. Nerikar , C. Unal , C. R. Stanek

Publication date (Electronic): August 9 2011

Journal: Physical Review B

Publisher: American Physical Society (APS)

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Generalized Gradient Approximation Made Simple

John P Perdew, Kieron Burke, Matthias Ernzerhof (1997)

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Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

G Kresse, J. Furthmüller (1996)

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n-type doping ofCuInSe2andCuGaSe2

Clas Persson, Yu-Jun Zhao, Stephan Lany … (2005)

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Journal ID (publisher-id): PRBMDO

Title: Physical Review B

Abbreviated Title: Phys. Rev. B

Publisher: American Physical Society (APS)

ISSN (Print): 1098-0121

ISSN (Electronic): 1550-235X

Publication date Created: August 2011

Publication date (Electronic): August 9 2011

Volume: 84

Issue: 5

Article

DOI: 10.1103/PhysRevB.84.054105

SO-VID: f548de76-10c5-43c9-ab75-329866dc66ba

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http://link.aps.org/licenses/aps-default-accepted-manuscript-license

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U and Xe transport in UO\({}_{2\pm x}\): Density functional theory calculations

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Most cited references 58

Generalized Gradient Approximation Made Simple

Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

n-type doping ofCuInSe2andCuGaSe2

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