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A high-throughput infrastructure for density functional theory calculations
Anubhav Jain ,
Geoffroy Hautier ,
Charles J. Moore ,
Shyue Ping Ong ,
Christopher C. Fischer ,
Tim Mueller ,
Kristin A. Persson ,
Gerbrand Ceder
June 2011
June 2011
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- Record: found
- Abstract: not found
- Article: not found
Generalized Gradient Approximation Made Simple
John P Perdew, Kieron Burke, Matthias Ernzerhof (1997)
- Record: found
- Abstract: not found
- Article: not found
Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
G Kresse, J. Furthmüller (1996)
- Record: found
- Abstract: not found
- Article: not found
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
S. L. Dudarev, G. A. Botton, S Y Savrasov … (1998)