84 citations · 581 across the 25 of their papers we have counts for
25 papers
On a weighted quasi-residual minimization strategy of the QMR method for solving complex symmetric shifted linear systems
T. Sogabe, T. Hoshi, S. -L. Zhang +1
We consider the solution of complex symmetric shifted linear systems. Such systems arise in large-scale electronic structure simulations and there is a strong need for the fast sol…
GW approximation with LSDA+U method and applications to NiO, MnO, and VO
S. Kobayashi, Y. Nohara, S. Yamamoto +1
A GW approximation (GWA) method named U+GWA is proposed, where we can start GWA with more localized wave functions obtained by the local spin-density approximation (LSDA)+U method.…
Electronic structure and effects of dynamical electron correlation in ferromagnetic bcc-Fe, fcc-Ni and antiferromagnetic NiO
Oki Miura, Takeo Fujiwara
LDA+DMFT method in the framework of the iterative perturbation theory (IPT) with full LDA Hamiltonian without mapping onto the effective Wannier orbitals. We then apply this LDA+DM…
Ill-Contact Effects of d-Orbital Channels in Nanometer-Scale Conductor
Hiroshi Shinaoka, Takeo Hoshi, Takeo Fujiwara
Electronic current in a nanometer-size rod is theoretically investigated by an eigen-channel decomposition method in nonequilibrium Green's function formalism. Physical properties,…
Shifted COCG method and its application to double orbital extended Hubbard model
Susumu Yamamoto, Tomohiro Sogabe, Takeo Hoshi +2
We explains the shifted COCG method which can solve a series of the linear equations generated by numbers of scaler shifts, without time consuming matrix-vector operations, except…
Development of simulation package for atomic processes of ultra-large-scale system based on electronic structure theory
Hitoshi Nitta, Naoki Watanabe, Takeo Hoshi +1
An early-stage version of simulation package is developed for electronic structure calculation and dynamics of atom process in large-scale systems, particularly, nm-scale or 10nm-s…