74 citations · 239 across the 13 of their papers we have counts for
13 papers
Intra-atomic Hund's exchange interaction determines spin states and energetics of Li-rich layered sulfides for battery applications
Jae-Hoon Sim, D. D. Sarma, Jean-Marie Tarascon +1
Motivated by experimental suggestions of anionic redox processes helping to design higher energy lithium ion-battery cathode materials, we investigate this effect using first-princ…
Non-local Correlation Effects in Fermionic Many-Body Systems: Overcoming the Non-causality Problem
Steffen Backes, Jae-Hoon Sim, Silke Biermann
Motivated by the intriguing physics of quasi-2d fermionic systems, such as high-temperature superconducting oxides, layered transition metal chalcogenides or surface or interface s…
Novel =3/2 Metallic Phase and Unconventional Superconductivity in GaTaSe
Min Yong Jeong, Seo Hyoung Chang, Hyeong Jun Lee +10
By means of density functional theory plus dynamical mean-field theory (DFT+DMFT) calculations and resonant inelastic x-ray scattering (RIXS) experiments, we investigate the high-p…
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…
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…
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…