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- W2008423326 endingPage "6170" @default.
- W2008423326 startingPage "6158" @default.
- W2008423326 abstract "We present an analysis of the performances of a parameter free density functional model (PBE0) obtained combining the so called PBE generalized gradient functional with a predefined amount of exact exchange. The results obtained for structural, thermodynamic, kinetic and spectroscopic (magnetic, infrared and electronic) properties are satisfactory and not far from those delivered by the most reliable functionals including heavy parameterization. The way in which the functional is derived and the lack of empirical parameters fitted to specific properties make the PBE0 model a widely applicable method for both quantum chemistry and condensed matter physics." @default.
- W2008423326 created "2016-06-24" @default.
- W2008423326 creator A5069821016 @default.
- W2008423326 creator A5083221636 @default.
- W2008423326 date "1999-04-01" @default.
- W2008423326 modified "2023-10-18" @default.
- W2008423326 title "Toward reliable density functional methods without adjustable parameters: The PBE0 model" @default.
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