172 citations · 695 across the 17 of their papers we have counts for
3 papers · 1 filter
Construction of meta-GGA functionals through restoration of exact constraint adherence to regularized SCAN functionals
James W. Furness, Aaron D. Kaplan, Jinliang Ning +2
The SCAN meta-GGA exchange-correlation functional [Phys. Rev. Lett. 115, 036402 (2015)] is constructed as a chemical environment-determined interpolation between two separate energ…
First-principles wavevector- and frequency-dependent exchange-correlation kernel for jellium at all densities
Aaron D. Kaplan, Niraj K. Nepal, Adrienn Ruzsinszky +2
We propose a spatially and temporally nonlocal exchange-correlation (xc) kernel for the spin-unpolarized fluid phase of ground-state jellium, for use in time-dependent density func…
Progress towards understanding ultranonlocality through the wavevector and frequency dependence of approximate exchange-correlation kernels
Niraj K. Nepal, Aaron D. Kaplan, J. M. Pitarke +1
In the framework of time-dependent density functional theory (TDDFT), the exact exchange-correlation (xc) kernel determines the ground-state energy, excited-state e…