SCAN-based hybrid and double-hybrid density functionals from models without fitted parameters

By incorporating the nonempirical strongly constrained and appropriately normed (SCAN) semilocal density functional [J. Sun, A. Ruzsinszky, and J. P. Perdew, Phys. Rev. Lett. 115, 036402 (2015)] in the underlying expression of four existing hybrid and double-hybrid models, we propose one hybrid (SCA...

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Veröffentlicht in:	The Journal of chemical physics 2016-01, Vol.144 (4), p.044114-044114
Hauptverfasser:	Hui, Kerwin, Chai, Jeng-Da
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical bonds Density Functionals Mathematical models Parameters Physics Thermochemistry
Online-Zugang:	Volltext
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