294 citations · 1.4k across the 41 of their papers we have counts for
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physics.chem-ph2012★ 135 cited
Norm-conserving pseudopotentials with chemical accuracy compared to all-electron calculations
Alexander Willand, Yaroslav O. Kvashnin, Luigi Genovese +5
By adding a non-linear core correction to the well established Dual Space Gaussian type pseudopotentials for the chemical elements up to the third period, we construct improved pse…
cond-mat.mtrl-sci2012★ 21 cited
Non-collinear magnetic ordering in compressed FePd ordered alloy: a first principles study
Y. O. Kvashnin, S. Khmelevskyi, J. Kudrnovský +3
By means of ab initio calculations based on the density functional theory we investigated magnetic phase diagram of ordered FePd alloy as a function of external pressure. Consi…