paper f77 program
3DMODEL
Papers

[data base]
[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) (nvidia)
(source
codes)
[Heisenberg Machine,J,E].
- 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,
Ba8AgnSi46-n and Ba8AunSi46-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)