Dr. Iitaka's Home Page

Papers

[data base]

[2011]

Z.Li, J.S.Tse, S.You, C.Q.Jin, T.Iitaka, Electronic and magnetic structure of the high pressure phase of Li2CuO2, International Journal of Modern Physics B 25, 3409 (2011). (journa l)
Hidekazu Tomono, Masaru Aoki, Toshiaki Iitaka and Kazuo Tsumuraya, Journal of Computational Science and Technology, 5 (3), 89-105 (2011). (journal)
J.Yang, J.S. Tse, T.Iitaka, First-principles study of liquid gallium at ambient and high pressure, J. Chem. Phys. 135, 044507 (2011). (journal)
S. Van Gorp, M. Beck, M. Breitenfeldt, V. De Leebeeck, P. Friedag, A. Herlert, T. Iitaka, J. Mader, V. Kozlov, S. Roccia, G. Soti, M. Tandecki, E. Traykov, F. Wauters, Ch. Weinheimer, D. Zákoucký, N. Severijns, "Simbuca, using a graphics card to simulate Coulomb interactions in a penning trap ", Nucl. Instr. and Meth. A 638, 192-200 (2011). (journal) (gpgpu)

[2010]

Wai-Leung Yim, John S. Tse, and Toshiaki Iitaka, "Pressure-Induced Intermolecular Interactions in Crystalline Silane-Hydrogen", Phys. Rev. Lett. 105, 215501 (2010).(journal) (Riken Research) (Riken Singapore)
Guoying Gao,　Artem R. Oganov, Yanming Ma, Hui Wang, Peifang Li, Yinwei Li, Toshiaki Iitaka, and Guangtian Zou, “Dissociation of methane under high pressure”, J. Chem. Phys. 133, 144508 (2010). (journal)
Meiguang Zhang, Hui Wang, Hongbo Wang, Xinxin Zhang, Toshiaki Iitaka and Yanming Ma, “First-Principles Prediction on the High-Pressure Structures of Transition Metal Diborides (TMB2, TM = Sc, Ti, Y, Zr)”, Inorg. Chem. 49, 6859 (2010). (journal)
Toshiaki Iitaka, "Stability of ferroelectric ice", (arXiv:1007.1792). (IceXI) (neutron) (PCI)
Kenta Hongo, Mark A. Watson, Roel S. Sanchez-Carrera, Toshiaki Iitaka, and Alan Aspuru-Guzik, "Failure of Conventional Density Functionals for the Prediction of Molecular Crystal Polymorphism: A Quantum Monte Carlo Study", J. Phys. Chem. Lett. 1, 1789–1794 (2010). (journal) (HaRiken09).
Guoying Gao, Artem R. Oganov, Peifang Li, Zhenwei Li, Hui Wang, Tian Cui, Yanming Ma, Aitor Bergara, Andriy O. Lyakhov, Toshiaki Iitaka, and Guangtian Zou, "High-pressure crystal structures and superconductivity of Stannane (SnH4)", Proceedings of the National Academy of Sciences 107, 1317 (2010). (journal)
Jianjun Yang, John S Tse and Toshiaki Iitaka, "First-principles studies of liquid lithium under pressure", J. Phys.: Condens. Matter 22, 095503 (2010). (journal)

Toshiaki Iitaka, "GPU-accelerated large-scale quantum molecular dynamics simulation of 3-dimensional C60 polymers", J. Phys.: Conf. Ser. 215,012119 (2010). (arXiv:0910.4497) (journal) (references)
Takeo Hoshi, Toshiaki Iitaka, Maria Fyta, "Large scale simulation of quantum-mechanical molecular dynamics for nano-polycrystalline diamond", J. Phys.: Conf. Ser. 215, 012118 (2010).(arXiv:0908.4469) (journal).
M Aoki, H Tomono, T Iitaka and K Tsumuraya, "Acceleration of orbital-free first principles calculation with graphics processing unit GPU", J. Phys.: Conf. Ser. 215, 012120 (2010). (journal)
H Tomono, M Aoki, T Iitaka and K Tsumuraya, "GPU based acceleration of first principles calculation ", J. Phys.: Conf. Ser. 215, 012121 (2010). (journal)

[2009]

Y. Yao, J. S. Tse, J. Sun, D. D. Klug, R. Martoňák, and T. Iitaka, "Comment on “New Metallic Carbon Crystal”, Phys. Rev. Lett. 102, 229601 (2009). (journal).

[2008]

Guoying Gao, Artem R. Oganov, Aitor Bergara, Miguel Martinez-Canales, Tian Cui, Toshiaki Iitaka, Yanming Ma, and Guangtian Zou, "Superconducting High Pressure Phase of Germane", Phys. Rev. Lett. 101, 107002 (2008) .(journal)
Emiko Sugimura, Toshiaki Iitaka, Kei Hirose, Katsuyuki Kawamura, Nagayoshi Sata, and Yasuo Ohishi, "Compression of H2O ice to 126 GPa and implications for hydrogen bond symmetrization: Synchrotron x-ray diffraction measurements and density functional calculations", Phys. Rev. B 77, 214103 (2008) (journal).
Xin Chen, Yi Wang, Tian Cui, Yanming Ma, Guangtian Zou, and Toshiaki Iitaka, "HgTe: A potential thermoelectric material in the cinnabar phase", J. Chem. Phys. 128, 194713 (2008). (journal).

[2007]

John S. Tse, Roxana Flacau, Serge Desgreniers, Toshiaki Iitaka, and J. Z. Jiang, "Electron density topology of high-pressure Ba8Si46 from a combined Rietveld and maximum-entropy analysis", Phys. Rev. B 76, 174109 (2007).(journal)(image)
Jianjun Yang, John S. Tse, and Toshiaki Iitaka, "First-principles investigation on the geometry and electronic structure of the three-dimensional cuboidal C60 polymer", J. Chem. Phys. 127, 134906 (2007). (journal)(Virtual Journal of Nanoscale Science & Technology)(RIKEN Highlight).
Shintaro Nomura, and Toshiaki Iitaka, "Linear scaling calculation of a n-type GaAs quantum dot", Phys. Rev. E 76, 037701 (2007) ( arXiv:0707.4521v1) (journal)(Virtual Journal of Nanoscale Science & Technology).
Jianjun Yang, J.S. Tse, Y. Yao, and T. Iitaka, "Structural and Electronic Properties of Pristine and Ba-Doped Clathrate-Like Carbon Fullerenes", Angewandte Chemie International Edition 46, 6275 - 6277 (2007). (journal)(RIKEN Highlight).
Tsuyoshi Hamada, Toshiaki Iitaka, "The Chamomile Scheme: An Optimized Algorithm for N-body simulations on Programmable Graphics Processing Units",(astro-ph/0703100)(citebase) (nvidia) (source codes)(license) (gpgpu).
H. Shimizu, T. Iitaka, T. Fukushima, T. Kume, S. Sasaki, N. Sata, Y. Ohishi, H. Fukuoka, and S. Yamanaka, "Raman and XRD studies of Ba doped germanium clathrate Ba8Ge43 at high pressures", J. Appl. Phys. 101, 063549 (2007) (journal).
T. Iitaka, Pressure-induced isostructural phase transition of metal-doped silicon clathrates, Phys. Rev. B 75, 012106 (2007) (cond-mat/0611299) (journal) (Virtual Journal of Nanoscale Science & Technology)
K. Maruyama, T. Iitaka, F. Nori, Enhancement of entanglement transfer in a spin chain by phase shift control, Phys. Rev. A 75, 012325 (2007). (quant-ph/0610103) (journal) (Virtual Journal of Quantum Information).

[2006]

L. Yang, Y. M. Ma, T. Iitaka, J. S. Tse, K. Stahl, Y. Ohishi, Y. Wang, R. W. Zhang, J. F. Liu, H.-K. Mao, and J. Z. Jiang, ”Pressure-induced phase transformations in the Ba8Si46 clathrate”, Phys. Rev. B 74, 245209 (2006). (journal)
J.S. Tse, T. Iitaka, K. Parlinski, Vibrational properties and superconductivity in $Ba_{24}Si_{100}$, Europhys. Lett., 75 (1), pp. 153-159 (2006) . (journal)
J.S. Tse, D.D. Klug, T. Iitaka, Dynamics of elemental lithium at megabar pressures, Phys. Rev. B 73, 212301 (2006). (journal)

[2005]

T Iitaka, T Ebisuzaki, K Hirose and K Kawamura, Postperovskite phase transition of MgSiO3, J. Phys.: Conf. Ser. 29 58-60. (journal)
J.S. Tse, T. Iitaka, T. Kume, H. Shimizu, K. Parlinski, H. Fukuoka, S. Yamanaka, The Electronic Structure and Vibrational Properties of Ba₈Si₄₆, Ba₈Ag_nSi_46-n and Ba₈Au_nSi_46-n, Phys. Rev. B 72, 155441 (2005). (journal).
T. Iitaka, First principles molecular dynamics calculation for planetary and Earth sciences, in Proceedings of "International Workshop: Molecular Simulation Studies in Material and Biological Sciences" edited by Professor Kholmirzo Kholmurodov.
T. Iitaka and T. Ebisuzaki, Chebyshev polynomial expansion method for nano-quantum systems, in Proceedings of "International Workshop: Molecular Simulation Studies in Material and Biological Sciences" edited by Professor Kholmirzo Kholmurodov.
M. Machida, T. Iitaka and S. Miyashita, Temperature dependence of ESR intensity for the nanoscale molecular magnet V15, J. Phys. Soc. Jpn. Suppl. 74, 107-110 (2005). (preprint) (journal)

[2004]

T. Iitaka, K. Hirose, K. Kawamura and M. Murakami, The elasticity of the MgSiO3 post-perovskite phase in the lowermost mantle, Nature 430, 442-445 (2004). (free pdf) (journal) (summary in English) (summary in Japanese)
T.Iitaka and T.Ebisuzaki, Random phase vector for calculating the trace of a large matrix, Phys. Rev. E 69, 057701 (2004). (preprint) (journal)

[2003]

T. Iitaka and T. Ebisuzaki, Methane hydrate under high pressure, Phys. Rev. B68, 172105 (2003). (journal) (preprint)
T. Iitaka, T. Ebisuzaki, Algorithm for linear response functions at finite temperatures, Application to ESR spectrum of s=1/2 antiferromagnet Cu benzoate. Phys. Rev. Lett. 90, 047203 (2003). (journal) (preprint)

[2002]

T. Iitaka and T. Ebisuzaki, First-principles calculation of elastic properties of solid argon at high pressures. Phys. Rev. B65(1), 012103(2002). (journal) (preprint)

[2001]

F. Pichierri, T. Iitaka, T. Ebisuzaki, M. Kawai, D.M. Bird, First-principles pseudo-potential study of the Pd(110)-c(2x2)-ethylene adsorption system, J. Phys. Chem. B105(34), 8149-8154 (2001). (journal)

[2000]

Iitaka, T; Ebisuzaki, T. 2000. Calculating feynman diagrams in time domain. PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT(138): 66-71.
Iitaka, T; Ebisuzaki, T. 2000. Calculating response functions in time domain with nonorthonormal basis sets. PHYSICAL REVIEW E61 (4): R3314-R3317, Part A (journal) (preprint).
T.Ebisuzaki and T.Iitaka (editor), Large-scale Calculation of Electronic States, RIKEN Review No.29 ( June, 2000 ) (journal).

[1999]

T. Iiitaka, Fast Algorithm for Quantum Physics, RIKEN Review No.19 ( October, 1998 ), pp.136-143. (journal)
Tanaka, H; Ito, H; Iitaka, T; Ohstuki, Y. 1999. Focusing of tunneling electron in a magnetic field. SURFACE SCIENCE441 (2-3): 283-288. (journal) (preprint)
Iitaka, T; Ebisuzaki, T. 1999. Efficient algorithm for calculating two-photon absorption spectra. PHYSICAL REVIEW E60 (2): R1178-R1180, Part A. (journal)
Iitaka, T; Ebisuzaki, T. 1999. Non-degenerate two photon absorption spectra of Si nanocrystallites. MICROELECTRONIC ENGINEERING47 (1-4): 321-323.
Nomura, S; Iitaka, T; Zhao, XW; Sugano, T; Aoyagi, Y. 1999. Quantum-size effect in model nanocrystalline/amorphous mixed-phase silicon structures. PHYSICAL REVIEW B59 (15): 10309-10314. (journal) (preprint)

[1998]

Iitaka, T; Nomura, S; Hirayama, H; Zhao, XW; Aoyagi, Y; Sugano, T. 1998. Calculating the density of states and the linear response functions with time-dependent Schroedinger equations. MICROELECTRONIC ENGINEERING43-4: 459-470. (journal) (preprint)
Nomura, S; Iitaka, T; Zhao, X; Sugano, T; Aoyagi, Y. 1998. Electronic structure of nanocrystalline amorphous silicon: a novel quantum size effect. MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY51 (1-3): 146-149. (journal) (preprint)

[1997]

Iitaka, T. 1997. Correlation functions for a time-dependent calculation of linear-response functions. PHYSICAL REVIEW E56 (6): 7318-7319. (journal) (preprint)
Iitaka, T; Bird, J; Stopa, M; Ishibashi, K; Aoyagi, Y; Sugano, T. 1997. Phase breaking in a quantum billiard. INTERNATIONAL JOURNAL OF BIFURCATION AND CHAOS7 (4): 937-943.
S. Nomura, T. Iitaka, XW. Zhao, T. Sugano, Y. Aoyagi, Linear scaling calculation for optical-absorption spectra of large hydrogenated silicon nanocrystallites, Phys. Rev. B 56, R4348-R4350 (1997). (journal) (preprint)
T. Iitaka, S. Nomura, H. Hirayama, XW. Zhao, Y. Aoyagi, T. Sugano, Calculating the linear response functions of noninteracting electrons with a time-dependent Schrodinger equation, Phys. Rev. E 56, 1222-1229 (1997). (journal) (preprint)

[1996]

T. Iitaka, Computing the real-time Green's Functions of large Hamiltonian matrices, High Performance Computing in RIKEN 1995 (ISSN-1342-3428), 241--247 (1996). (preprint)
Mitsutake, A; Iitaka, T; Okamoto, Y. 1996. A method for calculating the eigenvalues of large Hermitian matrices by second-order recursion formulae. COMPUTER PHYSICS COMMUNICATIONS96 (2-3): 217-231. (journal) (preprint)

[1995]

MARUYAMA, K; SAKAI, H; IITAKA, T. 1994. SIMULATION OF ELECTROMAGNETIC SHOWER FORMATION IN A GERMANIUM CRYSTAL. RADIATION EFFECTS AND DEFECTS IN SOLIDS130: 193-202.
IITAKA, T; CARJAN, N; STROTTMAN, D. 1995. STABILITY OF THE SYMMETRICAL MULTISTEP METHODS FOR THE TIME-DEPENDENT SCHRODINGER-EQUATION. COMPUTER PHYSICS COMMUNICATIONS90 (2-3): 251-259. (journal) (preprint)
IITAKA, T. 1995. COMPUTATIONAL QUANTUM DYNAMICS IN ATOMIC PHYSICS. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS96 (3-4): 663-667. (journal) (preprint)

[1994]

IITAKA, T. 1994. SOLVING THE TIME-DEPENDENT SCHRODINGER-EQUATION NUMERICALLY. PHYSICAL REVIEW E49 (5): 4684-4690, Part B. (journal) (preprint)

[1993]

KOYAMA, A; BENKA, O; ISHIKAWA, H; IITAKA, T; SASA, Y; UDA, M. 1993. INCIDENT ANGLE DEPENDENCE OF AL-LVV AUGER-ELECTRON SPECTRA INDUCED BY FAST AR-12+ ION IMPACT. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS75 (1-4): 86-88. (journal) (preprint)

[1992]

OHTSUKI, YH; TOKIOKA, T; IITAKA, T; KITAGAWA, M. 1992. STOPPING POWER AT METAL-SURFACES. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS67 (1-4): 53-55. (journal) (preprint)
ISHIKAWA, H; MISU, A; KOYAMA, A; IITAKA, T; UDA, M; OHTSUKI, Y. 1992. Z2-DEPENDENCE OF ENERGY-SPECTRA OF ELECTRONS EXCITED BY FAST HEAVY-IONS INCIDENT AT GRAZING ANGLE. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS67 (1-4): 160-163. (journal) (preprint)
SAKAI, H; IITAKA, T; OHTSUKI, YH. 1992. COMPUTER-SIMULATION OF SKIPPING MOTION ON THE GRAPHITE (0001) SURFACE. PHYSICS LETTERS A161 (5): 467-469. (journal) (preprint)

[1991]

IITAKA, T; OHTSUKI, YH; HIZAWA, K; KOYAMA, A; ISHIKAWA, H. 1991. CONVOY ELECTRONS EMITTED AT GLANCING ANGLE INCIDENCE OF MEV LIGHT-IONS. RADIATION EFFECTS AND DEFECTS IN SOLIDS117 (1-3): 127-130. (journal) (preprint)

[1990]

KOYAMA, A; SASA, Y; ISHIKAWA, H; MISU, A; ISHII, K; IITAKA, T; OHTSUKI, YH; UDA, M. 1990. EXCITATION OF ELECTRONS FROM AN AL SURFACE BY GRAZING-ANGLE-INCIDENT FAST HEAVY-IONS. PHYSICAL REVIEW LETTERS65 (25): 3156-3159. (journal) (preprint)
IITAKA, T; OHTSUKI, YH; KOYAMA, A; ISHIKAWA, H. 1990. ACCELERATION OF CONVOY ELECTRONS BY SURFACE IMAGE CHARGE. PHYSICAL REVIEW LETTERS65 (25): 3160-3161. (journal) (preprint)
MIYAMOTO, T; IITAKA, T; OHTSUKI, YH. 1990. THE EFFECT OF SKIPPING MOTION ON THE ANGULAR-DISTRIBUTION. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS48 (1-4): 330-333. (journal) (preprint)
IITAKA, T; OHTSUKI, YH. 1990. FORMATION OF POSITRONIUM AT METAL-SURFACES. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS48 (1-4): 375-377. (journal) (preprint)

[1989]

IITAKA, T; OHTSUKI, YH. 1989. EXCITATION OF AN ATOM NEAR A SURFACE. SURFACE SCIENCE213 (1): 187-194. (journal) (preprint)
IITAKA, T. 1989. INTERACTION OF FAST NEUTRAL ATOM AND SURFACE. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN58 (2): 445-450. (journal) (preprint)

[1988]

KATO, M; IITAKA, T; OHTSUKI, YH. 1988. THE SKIPPING MOTION OF IONS AND THEIR ENERGY-LOSS SPECTRUM. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS33 (1-4): 432-434. (journal) (preprint)

Books and Conferences

Theoretical Science Colloquium
theoretical scinces in RIKEN

Harvard-Riken Joint Symposium (HaRiken)

統計物理学ハンドブック-熱平衡から非平衡まで- (浅倉書店)

Molecular Simulation Studies in Material and Biological Sciences (MSSMBS-2010)

無料ダウンロード

　Booklog

RIKEN Review No.29
( June, 2000 )
(DownLoad All-in-One PDF file)
Large-scale Calculation of Electronic States
Proceedings of RIKEN SYMPOSIUM