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

Journal of Chemical Physics

Volumn 122, Issue 23, 2005, Pages

  Paier, Joachim ^a   Hirschl, Robin ^a   Marsman, Martijn ^a   Kresse, Georg ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION ENERGIES; MEAN DEVIATION; PERDEW-BURKE-ERNZERHOF EXCHANGE-CORRELATION FUNCTIONAL; PLANE-WAVE BASIS SET;

ALGORITHMS; ATOMIZATION; COMPUTER SIMULATION; ERROR ANALYSIS; PROBLEM SOLVING; SET THEORY;

CORRELATION METHODS;

EID: 23344454109     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1926272     Document Type: Article

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