Strongly Constrained and Appropriately Normed Semilocal Density Functional

The ground-state energy, electron density, and related properties of ordinary matter can be computed efficiently when the exchange-correlation energy as a functional of the density is approximated semilocally. We propose the first meta-generalized-gradient approximation (meta-GGA) that is fully cons...

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Veröffentlicht in:	Physical review letters 2015-07, Vol.115 (3), p.036402-036402, Article 036402
Hauptverfasser:	Sun, Jianwei, Ruzsinszky, Adrienn, Perdew, John P
Format:	Artikel
Sprache:	eng
Schlagworte:	Approximation Constraints Density Electron density Exchange Lattice parameters Mathematical analysis Norms
Online-Zugang:	Volltext
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