40 citations · 324 across the 38 of their papers we have counts for
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physics.atom-ph2019★ 18 cited
Accurate effective potential for density amplitude and the corresponding Kohn-Sham exchange-correlation potential calculated from approximate wavefunctions
Ashish Kumar, Rabeet Singh, Manoj K. Harbola
Over the past few years it has been pointed out that direct inversion of accurate but approximate ground state densities leads to Kohn-Sham exchange-correlation (xc) potentials tha…
cond-mat.mtrl-sci2019★ 40 cited
Exploring the role of electronic structure on photo-catalytic behavior of carbon-nitride polymorphs
Sujoy Datta, Prashant Singh, Debnarayan Jana +4
A fully self-consistent density-functional theory (DFT) with improved functionals is used to provide a comprehensive account of structural, electronic, and optical properties of C$…