Accurate energies calculated by empirical corrections to the local spin density approximation

Theoretical Chemistry Accounts

Volumn 112, Issue 1, 2004, Pages 1-6

  Fournier, René ^a   Boroukhovskaia, Luba ^a  

^a YORK UNIVERSITY   (Canada)

Author keywords

Empirical corrections; Functionals; Local spin density; Thermochemistry

Indexed keywords

AB INITIO CALCULATION; ACCURACY; ARTICLE; DENSITY FUNCTIONAL THEORY; ELECTROCHEMISTRY; ENERGY TRANSFER; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; SPIN LABELING;

EID: 2442616812     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0555-y     Document Type: Article

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