Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 127, Issue 12, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.2768530
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In previous work we have introduced exact-exchange-based density-functional models of dynamical, nondynamical, and dispersion correlations. We have not yet, however, been able to combine these models into a single energy functional. The problem is that interaction curves in van der Waals complexes are too repulsive. A simple solution is proposed in the present work resulting in an exact-exchange-based energy functional for all chemical interactions, from the weakest (dispersion) to the strongest (molecular bonds). (C) 2007 American Institute of Physics.
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