Collect. Czech. Chem. Commun.
2005, 70, 1157-1176
https://doi.org/10.1135/cccc20051157
Ab initio Correlation Effects in Density Functional Theories: An Electron-Distribution-Based Study for Neon
Karol Jankowskia,*, Ireneusz Grabowskia, Krzysztof Nowakowskia and Jan Wasilewskib
a Institute of Physics, Nicolaus Copernicus University, 87-100 Toruń, Poland
b Department of Informatics, Nicolaus Copernicus University, 87-100 Toruń, Poland
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- Jankowski K., Nowakowski K., Grabowski I., Wasilewski J.: Coverage of dynamic correlation effects by density functional theory functionals: Density-based analysis for neon. The Journal of Chemical Physics 2009, 130. <https://doi.org/10.1063/1.3116157>
- Bochevarov Arteum D., Friesner Richard A.: The densities produced by the density functional theory: Comparison to full configuration interaction. The Journal of Chemical Physics 2008, 128. <https://doi.org/10.1063/1.2821123>
