The role of the basis set: Assessing density functional theory

Journal of Chemical Physics

Volumn 119, Issue 6, 2003, Pages 3005-3014

  Boese, A Daniel ^a   Martin, Jan M L ^a   Handy, Nicholas C ^b  

^a WEIZMANN INSTITUTE OF SCIENCE   (Israel)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; CALCULATIONS; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; MOLECULES; OPTIMIZATION; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY; GENERALIZED GRADIENT APPROXIMATION; LOCAL SPIN DENSITY APPROXIMATION;

MOLECULAR PHYSICS;

EID: 0042380153     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1589004     Document Type: Article

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