164 citations · 496 across the 16 of their papers we have counts for
6 papers · 1 filter
First-principles-based calculation of branching ratio for 5, 4, and 3 transition metal systems
Do Hoon Kiem, Jae-Hoon Sim, Hongkee Yoon +1
A new first-principles computation scheme to calculate `branching ratio' has been applied to various , , and transition metal elements and compounds. This recently sug…
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…
Analytic continuation via domain-knowledge free machine learning
Hongkee Yoon, Jae-Hoon Sim, Myung Joon Han
We present a machine-learning approach to a long-standing issue in quantum many-body physics, namely, analytic continuation. This notorious ill-conditioned problem of obtaining spe…
Charge density functional plus theory of LaMnO: Phase diagram, electronic structure, and magnetic interaction
Seung Woo Jang, Siheon Ryee, Hongkee Yoon +1
We perform charge density functional theory plus calculation of LaMnO. While all the previous calculations were based on spin density functionals, our result and analysis s…
Reliability and applicability of magnetic force linear response theory: Numerical parameters, predictability, and orbital resolution
Hongkee Yoon, Taek Jung Kim, Jae-Hoon Sim +3
We investigated the reliability and applicability of so-called magnetic force linear response method to calculate spin-spin interaction strengths from first-principles. We examined…
Calculating branching ratio and spin-orbit coupling from first-principles: A formalism and its application to iridates
Jae-Hoon Sim, Hongkee Yoon, Sang Hyeon Park +1
We present a simple technique to calculate spin-orbit coupling, , and branching ratio measured in x-ray absorption spectroscopy. Our method is…