Nonlocal kinetic energy density functionals for isolated systems obtained via local density approximation kernels
نویسندگان
چکیده
منابع مشابه
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We suggest a more nuanced view of the merit and utility of generalized gradient approximations (GGAs) for the noninteracting kinetic energy (KE) than the critique of Xia and Carter (XC) [Phys. Rev. B 91, 045124 (2015)]. Specifically, the multiple valuedness of the Pauli term enhancement factor (denoted G[n] by XC) with respect to the inhomogeneity variable s can be excluded by enforcement of a ...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2020
ISSN: 2469-9950,2469-9969
DOI: 10.1103/physrevb.101.045110