258 citations · 1.4k across the 31 of their papers we have counts for
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cond-mat.mtrl-sci2018★ 3 cited
Density-gradient-free variable in exchange-correlation functionals for detecting inhomogeneities in the electron density
Fabien Tran, Peter Blaha
An alternative type of approximation for the exchange and correlation functional in density functional theory is proposed. This approximation depends on a variable that is able…
cond-mat.mtrl-sci2018★ 23 cited
Orbital-free approximations to the kinetic-energy density in exchange-correlation MGGA functionals: tests on solids
Fabien Tran, Péter Kovács, Leila Kalantari +2
A recent study of Mejia-Rodriguez and Trickey [Phys. Rev. A 96, 052512 (2017)] showed that the deorbitalization procedure (replacing the exact Kohn-Sham kinetic-energy density by a…