74 citations · 239 across the 13 of their papers we have counts for
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cond-mat.str-el2019★ 5 cited
DFT+DMFT with natural atomic orbital projectors
Jae-Hoon Sim, Myung Joon Han
We introduce natural atomic orbitals as the local projector to define the correlated subspace for DFT + DMFT (density functional theory plus dynamical mean-field theory) calculatio…
cond-mat.mtrl-sci2019★ 7 cited
Magnetic force theory combined with quasi-particle self-consistent GW method
Hongkee Yoon, Seung Woo Jang, Jae-Hoon Sim +2
We report a successful combination of magnetic force linear response theory with quasiparticle self-consistent GW method. The self-consistently determined wavefunctions and eigenva…
cond-mat.str-el2019★ 10 cited
Charge density functional plus calculation of lacunar spinel GaMSe (M = Nb, Mo, Ta, and W)
Hyunggeun Lee, Min Yong Jeong, Jae-Hoon Sim +3
Charge density functional plus calculations are carried out to examine the validity of molecular =1/2 and 3/2 state in lacunar spinel GaMX (M = Nb, Mo, Ta…