Density-functional thermochemistry. V. Systematic optimization of exchange-correlation functionals
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.475007
Reference23 articles.
1. Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds
2. Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
3. Density‐functional thermochemistry. I. The effect of the exchange‐only gradient correction
4. Density‐functional thermochemistry. II. The effect of the Perdew–Wang generalized‐gradient correlation correction
5. Density‐functional thermochemistry. III. The role of exact exchange
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