271 citations · 337 across the 4 of their papers we have counts for
4 papers
Correlated Band Structure of a Transition Metal Oxide ZnO Obtained from a Many-Body Wave Function Theory
Masayuki Ochi, Ryotaro Arita, Shinji Tsuneyuki
Obtaining accurate band structures of correlated solids has been one of the most important and challenging problems in first-principles electronic structure calculation. There have…
An efficient method for calculating spatially extended electronic states of large systems with a divide-and-conquer approach
Shunsuke Yamada, Fuyuki Shimojo, Ryosuke Akashi +1
We present an efficient post-processing method for calculating the electronic structure of nanosystems based on the divide-and-conquer approach to density functional theory (DC-DFT…
Anisotropic superconducting gaps in YNiBC: A first-principles investigation
Mitsuaki Kawamura, Ryosuke Akashi, Shinji Tsuneyuki
We calculate superconducting gaps and quasiparticle density of states of YNiBC in the framework of the density functional theory for superconductors to investigate the orig…
Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study
Terumasa Tadano, Yoshihiro Gohda, Shinji Tsuneyuki
We investigate the role of rattling guest atoms on the lattice thermal-conductivity of a type-I clathrate BaGaGe by first-principles lattice dynamics. Comparing…