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The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set
Paier, Joachim, Hirschl, Robin, Marsman, Martijn, Kresse, GeorgVolume:
122
Year:
2005
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.1926272
File:
PDF, 430 KB
english, 2005