24 著者名表示.
| 発行日 | タイトル |
著者 |
|---|
| 3-Mar-2011 | Accurate finite element method for atomic calculations based on density functional theory and Hartree-Fock method | Ozaki, Taisuke; Toyoda, Masayuki |
| 13-Aug-2009 | Anisotropic exchange interactions of spin-orbit-integrated states in Sr_2IrO_4 | Jin, Hosub; Jeong, Hogyun; Ozaki, Taisuke; Yu, Jaejun |
| 1-Dec-2014 | Avoiding critical-point phonon instabilities in two-dimensional materials: The origin of the stripe formation in epitaxial silicene | Lee, Chi-Cheng; Fleurence, Antoine; Friedlein, Rainer; Yamada-Takamura, Yukiko; Ozaki, Taisuke |
| 22-Aug-2014 | Band structure of silicene on zirconium diboride (0001) thin-film surface: Convergence of experiment and calculations in the one-Si-atom Brillouin zone | Lee, Chi-Cheng; Fleurence, Antoine; Yamada-Takamura, Yukiko; Ozaki, Taisuke; Friedlein, Rainer |
| 15-Jun-1999 | Bond-order potential based on the Lanczos basis | Ozaki, Taisuke |
| Competing magnetism in π-electrons in graphene with a single carbon vacancy | Lee, Chi-Cheng; Yamada-Takamura, Yukiko; Ozaki, Taisuke |
| 17-Oct-2014 | Diverse forms of bonding in two-dimensional Si allotropes: Nematic orbitals in the MoS_2 structure | Gimbert, Florian; Lee, Chi-Cheng; Friedlein, Rainer; Fleurence, Antoine; Yamada-Takamura, Yukiko; Ozaki, Taisuke |
| 17-Feb-2010 | Dual spin filter effect in a zigzag graphene nanoribbon | Ozaki, Taisuke; Nishio, Kengo; Weng, Hongming; Kino, Hiori |
| 25-Jan-2010 | Efficient implementation of the nonequilibrium Green function method for electronic transport calculations | Ozaki, Taisuke; Nishio, Kengo; Kino, Hiori |
| 20-Aug-2010 | Efficient low-order scaling method for large-scale electronic structure calculations with localized basis functions | Ozaki, Taisuke |
| 27-Feb-2008 | Electronic and optical properties of polyicosahedral Si nanostructures: A first-principles study | Nishio, Kengo; Ozaki, Taisuke; Morishita, Tetsuya; Shinoda, Wataru; Mikami, Masuhiro |
| 29-Mar-2011 | Exchange functional by a range-separated exchange hole | Toyoda, Masayuki; Ozaki, Taisuke |
| 11-Jun-2012 | Experimental evidence for epitaxial silicene on diboride thin films | Fleurence, Antoine; Friedlein, Rainer; Ozaki, Taisuke; Kawai, Hiroyuki; Wang, Ying; Yamada-Takamura, Yukiko |
| 30-Sep-2009 | Fast spherical Bessel transform via fast Fourier transform and recurrence formula | Toyoda, Masayuki; Ozaki, Taisuke |
| 8-Dec-2009 | First-principles calculation of the electronic properties of graphene clusters doped with nitrogen and boron: Analysis of catalytic activity for the oxygen reduction reaction | Huang, Sheng-Feng; Terakura, Kiyoyuki; Ozaki, Taisuke; Ikeda, Takashi; Boero, Mauro; Oshima, Masaharu; Ozaki, Jun-ichi; Miyata, Seizo |
| 4-Oct-2013 | First-principles study on competing phases of silicene: Effect of substrate and strain | Lee, Chi-Cheng; Fleurence, Antoine; Friedlein, Rainer; Yamada-Takamura, Yukiko; Ozaki, Taisuke |
| 12-May-2008 | Formation of silicon-fullerene-linked nanowires inside carbon nanotubes: A molecular-dynamics and first-principles study | Nishio, Kengo; Ozaki, Taisuke; Morishita, Tetsuya; Mikami, Masuhiro |
| 21-Mar-2011 | Influence of surface ligands on the electronic structure of Fe-Pt clusters: A density functional theory study | Trinh, Thuy T; Ozaki, Taisuke; Maenosono, Shinya |
| 2-Apr-2012 | Large-scale first-principles molecular dynamics for electrochemical systems with O(N) methods | Ohwaki, Tsukuru; Otani, Minoru; Ikeshoji, Tamio; Ozaki, Taisuke |
| 25-Mar-2009 | Numerical evaluation of electron repulsion integrals for pseudoatomic orbitals and their derivatives | Toyoda, Masayuki; Ozaki, Taisuke |
| 10-Jun-2009 | Revisiting magnetic coupling in transition-metal-benzene complexes with maximally localized Wannier functions | Weng, Hongming; Ozaki, Taisuke; Terakura, Kiyoyuki |
| 28-Mar-2017 | Single-particle excitation of core states in epitaxial silicene | Lee, Chi-Cheng; Yoshinobu, Jun; Mukai, Kozo; Yoshimoto, Shinya; Ueda, Hiroaki; Friedlein, Rainer; Fleurence, Antoine; Yamada-Takamura, Yukiko; Ozaki, Taisuke |
| 20-Mar-2009 | Substrate-mediated interactions of Pt atoms adsorbed on single-wall carbon nanotubes: Density functional calculations | Chi Dam, Hieu; Thanh Cuong, Nguyen; Sugiyama, Ayumu; Ozaki, Taisuke; Fujiwara, Akihiko; Mitani, Tadaoki; Okada, Susumu |
| 24-Mar-2010 | Tunable electronic transport properties of silicon-fullerene-linked nanowires: Semiconductor, conducting wire, and tunnel diode | Nishio, Kengo; Ozaki, Taisuke; Morishita, Tetsuya; Mikami, Masuhiro |
