New approaches for incorporating the exact exchange energy density into density functional approximations
In the last ten years, hybrid density functional approximations have become the most widely used method in modern quantum chemistry. Hybrid functionals combine the semi-local exchange-correlation and a fraction of the exact-exchange energy. The most common are global hybrid functionals, with a const...
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| Format: | Others |
| Language: | English |
| Published: |
2011
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| Online Access: | http://hdl.handle.net/1911/61758 |