Scaling Dynamical Correlation Energy from Density Functional Theory Correlation Functionals†
نویسندگان
چکیده
منابع مشابه
Scaling dynamical correlation energy from density functional theory correlation functionals.
The scaling of dynamical correlation energy in molecules obtained by the correlation functionals of density functional theory (DFT) is examined. The approach taken is very similar to the scaled external correlation method of Brown and Truhlar but is based on the observation that DFT correlation functionals, especially the LYP, appear to represent the dynamical portion of the correlation energy ...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2006
ISSN: 1089-5639,1520-5215
DOI: 10.1021/jp050584x