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Distributions and averages of electron density parameters: Explaining the effects of gradient corrections

✍ Scribed by Zupan, Ales̆; Burke, Kieron; Ernzerhof, Matthias; Perdew, John P.


Book ID
120333115
Publisher
American Institute of Physics
Year
1997
Tongue
English
Weight
485 KB
Volume
106
Category
Article
ISSN
0021-9606

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Exploring the limits of gradient correct
✍ Becke, Axel D. 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 146 KB 👁 2 views

We have recently proposed a simple and systematic approach to the generation of exchange-correlation functionals in density-functional theory by linear least-squares fitting to accurate thermochemical reference data. In a series of four publications, new functionals with gradient corrections of firs