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Updated: Jun 22, 2026

Assessing Functional Performance in the Mdx Mouse Model
Published on: March 27, 2014
Development and assessment of a short-range meta-GGA functional
Erich Goll1, Matthias Ernst, Franzeska Moegle-Hofacker
1Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany. goll@theochem.uni-stuttgart.de
Abstract:
Short-range DFT/long-range ab initio methods allow for a combination of the weak basis-set dependency of DFT with an accurate ab initio treatment of long-range effects like van der Waals interaction. In order to improve existing short-range LDA and GGA density functionals, we developed a TPSS-like short-range meta-GGA exchange-correlation functional and checked its performance in long-range CCSD(T) calculations for thermodynamical properties of the G2 set of molecules.
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