39 citations · 88 across the 9 of their papers we have counts for
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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…
cond-mat.mtrl-sci2004
A density functional study of molecular oxygen adsorption and reaction barrier on Pu (100) surface
M. N. Huda, A. K. Ray
Oxygen molecule adsorptions on a Pu (100) surface have been studied in detail, using the generalized gradient approximation to density functional theory. Dissociative adsorption wi…