64 citations · 88 across the 5 of their papers we have counts for
5 papers · 1 filter
Ab initio Derivation of Low-Energy Hamiltonians for Systems with Strong Spin-Orbit Interaction and Its Application to Ca5Ir3O12
Maxime Charlebois, Jean-Baptiste Morée, Kazuma Nakamura +7
We present an ab initio derivation method for effective low-energy Hamiltonians of material with strong spin-orbit interactions. The effective Hamiltonian is described in terms of…
RESPACK: An ab initio tool for derivation of effective low-energy model of material
Kazuma Nakamura, Yoshihide Yoshimoto, Yusuke Nomura +6
RESPACK is a first-principles calculation software for evaluating the interaction parameters of materials and is able to calculate maximally localized Wannier functions, response f…
Ab initio two-dimensional multiband low-energy models of EtMe_3Sb[Pd(dmit)_2]_2 and κ-(BEDT-TTF)_2Cu(NCS)_2 with comparisons to single-band models
Kazuma Nakamura, Yoshihide Yoshimoto, Masatoshi Imada
We present ab initio two-dimensional extended Hubbard-type multiband models for EtMe_3Sb[Pd(dmit)_2]_2 and κ-(BEDT-TTF)_2Cu(NCS)_2, after a downfolding scheme based on the constrai…
Optical Absorption Study by Ab initio Downfolding Approach: Application to GaAs
Kazuma Nakamura, Yoshihide Yoshimoto, Ryotaro Arita +2
We examine whether essence and quantitative aspects of electronic excitation spectra are correctly captured by an effective low-energy model constructed from an {\em ab initio} dow…
First-principles Calculation of Effective Onsite Coulomb Interaction of 3d Transition Metals: Constrained Local Density Functional Approach with Maximally Localized Wannier Function
Kazuma Nakamura, Ryotaro Arita, Yoshihide Yoshimoto +1
We present a new ab initio method for calculating effective onsite Coulomb interactions of itinerant and strongly correlated electron systems. The method is based on constrained lo…