Performance of numerical basis set DFT for aluminum clusters

Journal of Physical Chemistry A

Volumn 112, Issue 40, 2008, Pages 9835-9844

  Henry, David J ^a   Varano, Adrian ^a   Yarovsky, Irene ^a  

^a RMIT UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINA; ALUMINUM; ATOMS; BINDING ENERGY; BINDING SITES; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; IONIZATION POTENTIAL; MOLECULAR ORBITALS; NUCLEAR ENERGY; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; SILICON;

ALUMINUM CLUSTERS; BASIS SETS; BENCHMARK CALCULATIONS; COMPUTATIONAL EXPENSES; EXPERIMENTAL DATUM; GAUSSIAN; NUMERICAL BASIS SETS;

SET THEORY;

EID: 54849436538     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp802389b     Document Type: Article

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