Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases

Journal of Chemical Physics

Volumn 127, Issue 11, 2007, Pages

  VandeVondele, Joost ^a   Hutter, Jürg ^a  

^a UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; GAUSSIAN DISTRIBUTION; HYDROGEN BONDS; INTERFACES (MATERIALS); SET THEORY;

CONTRACTION COEFFICIENTS; LINEAR COMBINATION;

MOLECULAR STRUCTURE;

EID: 34648843516     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2770708     Document Type: Article

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