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Items for Author "Ozaki, Taisuke"

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Date of IssueTitle Authors
15-Jun-1999 Bond-order potential based on the Lanczos basisOzaki, Taisuke
27-Feb-2008 Electronic and optical properties of polyicosahedral Si nanostructures: A first-principles studyNishio, Kengo; Ozaki, Taisuke; Morishita, Tetsuya; Shinoda, Wataru; Mikami, Masuhiro
12-May-2008 Formation of silicon-fullerene-linked nanowires inside carbon nanotubes: A molecular-dynamics and first-principles studyNishio, Kengo; Ozaki, Taisuke; Morishita, Tetsuya; Mikami, Masuhiro
20-Mar-2009 Substrate-mediated interactions of Pt atoms adsorbed on single-wall carbon nanotubes: Density functional calculationsChi Dam, Hieu; Thanh Cuong, Nguyen; Sugiyama, Ayumu; Ozaki, Taisuke; Fujiwara, Akihiko; Mitani, Tadaoki; Okada, Susumu
25-Mar-2009 Numerical evaluation of electron repulsion integrals for pseudoatomic orbitals and their derivativesToyoda, Masayuki; Ozaki, Taisuke
10-Jun-2009 Revisiting magnetic coupling in transition-metal-benzene complexes with maximally localized Wannier functionsWeng, Hongming; Ozaki, Taisuke; Terakura, Kiyoyuki
13-Aug-2009 Anisotropic exchange interactions of spin-orbit-integrated states in Sr_2IrO_4Jin, Hosub; Jeong, Hogyun; Ozaki, Taisuke; Yu, Jaejun
30-Sep-2009 Fast spherical Bessel transform via fast Fourier transform and recurrence formulaToyoda, 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 reactionHuang, Sheng-Feng; Terakura, Kiyoyuki; Ozaki, Taisuke; Ikeda, Takashi; Boero, Mauro; Oshima, Masaharu; Ozaki, Jun-ichi; Miyata, Seizo
25-Jan-2010 Efficient implementation of the nonequilibrium Green function method for electronic transport calculationsOzaki, Taisuke; Nishio, Kengo; Kino, Hiori
17-Feb-2010 Dual spin filter effect in a zigzag graphene nanoribbonOzaki, Taisuke; Nishio, Kengo; Weng, Hongming; Kino, Hiori
24-Mar-2010 Tunable electronic transport properties of silicon-fullerene-linked nanowires: Semiconductor, conducting wire, and tunnel diodeNishio, Kengo; Ozaki, Taisuke; Morishita, Tetsuya; Mikami, Masuhiro
20-Aug-2010 Efficient low-order scaling method for large-scale electronic structure calculations with localized basis functionsOzaki, Taisuke
3-Mar-2011 Accurate finite element method for atomic calculations based on density functional theory and Hartree-Fock methodOzaki, Taisuke; Toyoda, Masayuki
21-Mar-2011 Influence of surface ligands on the electronic structure of Fe-Pt clusters: A density functional theory studyTrinh, Thuy T; Ozaki, Taisuke; Maenosono, Shinya
29-Mar-2011 Exchange functional by a range-separated exchange holeToyoda, Masayuki; Ozaki, Taisuke
2-Apr-2012 Large-scale first-principles molecular dynamics for electrochemical systems with O(N) methodsOhwaki, Tsukuru; Otani, Minoru; Ikeshoji, Tamio; Ozaki, Taisuke
11-Jun-2012 Experimental evidence for epitaxial silicene on diboride thin filmsFleurence, Antoine; Friedlein, Rainer; Ozaki, Taisuke; Kawai, Hiroyuki; Wang, Ying; Yamada-Takamura, Yukiko
4-Oct-2013 First-principles study on competing phases of silicene: Effect of substrate and strainLee, 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 zoneLee, Chi-Cheng; Fleurence, Antoine; Yamada-Takamura, Yukiko; Ozaki, Taisuke; Friedlein, Rainer
17-Oct-2014 Diverse forms of bonding in two-dimensional Si allotropes: Nematic orbitals in the MoS_2 structureGimbert, Florian; Lee, Chi-Cheng; Friedlein, Rainer; Fleurence, Antoine; Yamada-Takamura, Yukiko; Ozaki, Taisuke
1-Dec-2014 Avoiding critical-point phonon instabilities in two-dimensional materials: The origin of the stripe formation in epitaxial siliceneLee, Chi-Cheng; Fleurence, Antoine; Friedlein, Rainer; Yamada-Takamura, Yukiko; Ozaki, Taisuke
Competing magnetism in π-electrons in graphene with a single carbon vacancyLee, Chi-Cheng; Yamada-Takamura, Yukiko; Ozaki, Taisuke
28-Mar-2017 Single-particle excitation of core states in epitaxial siliceneLee, Chi-Cheng; Yoshinobu, Jun; Mukai, Kozo; Yoshimoto, Shinya; Ueda, Hiroaki; Friedlein, Rainer; Fleurence, Antoine; Yamada-Takamura, Yukiko; Ozaki, Taisuke


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