Implementation and Assessment of a Simple Nonlocal van der Waals Density Functional
Recently we developed a nonlocal van der Waals density functional (VV09) that has a simple and well-behaved analytic form. In this article, we report a self-consistent implementation of VV09 with an atom-centered basis set. We compute binding energies for a diverse benchmark set and find that VV09 p...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
American Institute of Physics,
2012-03-01T21:08:35Z.
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| Subjects: | |
| Online Access: | Get fulltext |