990 citations · 3.9k across the 42 of their papers we have counts for
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Bond-length distributions classified by coordination environments
Motonari Sawada, Ryoga Iwamoto, Takao Kotani +1
We have analyzed bond-length distributions between cations and anions for crystal structures in the crystallographic open database (www.crystallography.net/cod/). The distributions…
Non-linear extension of the dynamical linear response of spins; extended Heisenberg model
Haruki Okumura, Kazunori Sato, Takao Kotani
We introduce a new extended Heisenberg model. The model contains the orbital-dependent spins together with the retarded effects of spin torque. The model is directly derived from t…
Contracted Plane Wave satisfying periodic gauge
Takao Kotani
We introduce the contracted plane waves (CPWs), which satisfy the periodic gauge in the Brillouin-zone torus as in the case of usual Wannier functions. CPWs are very simply given a…
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…
All-electron quasi-particle self-consistent band structures for SrTiO including lattice polarization corrections in different phase
Churna Bhandari, Mark van Schilfgaarde, Takao Kotani +1
The electronic band structure of SrTiO is investigated in the all-electron QS approximation. Unlike previous pseudopotential based QS or single-shot calculatio…
Model-mapped RPA for determining the effective Coulomb interaction
Hirofumi Sakakibara, Seung Woo Jang, Hiori Kino +3
We present a new method to obtain interaction part of a model Hamiltonian from the result of the first-principles calculation. The effective interaction contained in the model is d…