Block-Localized Density Functional Theory (BLDFT), Diabatic Coupling, and Their Use in Valence Bond Theory for Representing Reactive Potential Energy Surfaces
- 1 September 2009
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Chemical Theory and Computation
- Vol. 5 (10) , 2702-2716
- https://doi.org/10.1021/ct9002898
Abstract
No abstract availableKeywords
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