| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383004 | Chemical Physics Letters | 2012 | 5 Pages |
Abstract
⺠New meta-GGA that comes from an improved constrained-based GGA. ⺠The conversion of the GGA to meta-GGA is based on the procedure for revTPSS. ⺠The proposed meta-GGA satisfies the large reduced density gradient constraint. ⺠The meta-GGA leads to a rather good description of heats of formation. ⺠The meta-GGA leads to a rather poor description of reaction barrier heights.
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Authors
Jorge M. del Campo, José L. Gázquez, S.B. Trickey, Alberto Vela,