Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions
Author:
Affiliation:
1. Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant Street S.E., Minneapolis, Minnesota 55455-0431
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct800246v
Reference196 articles.
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3. Beyond the local-density approximation in calculations of ground-state electronic properties
4. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
5. Density-functional exchange-energy approximation with correct asymptotic behavior
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