Atomic kinetic- and exchange-energy func
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R. LΓ³pez-Boada; V. Karasiev; E. V. LudeΓ±a; R. Colle
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Article
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1998
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John Wiley and Sons
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English
β 183 KB
Using several types of simple generating orbitals, explicit expressions for w x w x the kinetic-energy functional T and the exchange functional E were generated in the context of the local-scaling transformation version of density functional theory. The variational parameters in these orbitals were