Implementing and testing the AM05 spin density functional
نویسندگان
چکیده
منابع مشابه
The AM05 density functional applied to solids.
We show that the AM05 functional [Armiento and Mattsson, Phys. Rev. B 72, 085108 (2005)] has the same excellent performance for solids as the hybrid density functionals tested in Paier et al. [J. Chem. Phys. 124, 154709 (2006); 125, 249901 (2006)]. This confirms the original finding that AM05 performs exceptionally well for solids and surfaces. Hartree-Fock hybrid calculations are typically an ...
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تاریخ انتشار 2013