Communication: Density functional theory overcomes the failure of predicting intermolecular interaction energies
Author:
Affiliation:
1. Institute of Chemistry, University of Silesia, Szkolna 9, 40-006 Katowice, Poland
2. Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716, USA
Funder
"National Science Foundation"
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference32 articles.
1. Can (semi)local density functional theory account for the London dispersion forces?
2. Towards extending the applicability of density functional theory to weakly bound systems
3. Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions
4. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
5. Accurate description of van der Waals complexes by density functional theory including empirical corrections
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