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: | en_US |
| Published: |
American Institute of Physics
2012
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| Online Access: | http://hdl.handle.net/1721.1/69556 https://orcid.org/0000-0001-7111-0176 |