Exploring the limits of gradient correct
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Becke, Axel D.
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Article
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1999
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John Wiley and Sons
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English
โ 146 KB
๐ 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