The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set

Posted 09/30/2009 - 00:21 e by hannes

Joachim Paier, Robin Hirschl, Martijn Marsman, Georg Kresse
Journal of Chemical Physics 122, 234102 (2005)
doi: 
10.1063/1.1926272