39 citations · 88 across the 9 of their papers we have counts for
Showing 2009 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2009★ 8 cited
A Relativistic DFT Study of Water Adsorption on delta-Plutonium (111) Surface
Raymond Atta-Fynn, Asok K. Ray
Scalar-relativistic DFT-GGA has been used to study adsorption of water in molecular and dissociative configurations on delta-Plutonium (111) surface. In molecular state, water is p…
cond-mat.mtrl-sci2009★ 26 cited
Does hybrid density functional theory predict a non-magnetic ground state for delta-Plutonium?
Raymond Atta-Fynn, Asok K. Ray
Hybrid density functionals, which replaces a fraction of density functional theory (DFT) exchange with exact Hartree-Fock (HF) exchange, have been used to study the structural, mag…