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Improved meta-GGA Correlation Functional of the Lap Family †

✍ Scribed by Proynov, Emil; Kong, Jing

Book ID
127261481
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
75 KB
Volume
3
Category
Article
ISSN
1549-9618

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Extension of the LAP functional to inclu
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✍ E. I. Proynov; S. Sirois; D. R. Salahub 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 233 KB 👁 1 views

The kinetic energy density-dependent correlation functional LAP1 is extended to include parallel-spin correlation beyond the exchange level. Two exchange᎐correlation schemes are considered, combining the new correlation functional Ž . LAP3 with the GGA exchange of Becke and the GGA exchange of Perde