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学術論文

    2008
  1. T.V.B. Phung, H. Nagao
    "Theoretical Studies on Stable Structure and Noncollinear Magnetism of Aluminum Clusters"
    AIP Conference Proceedings in press
  2. A. Purqon, A. Sugiyama, H. Nagao, M. Takasu, K. Nishikawa
    "Geometrical Classification of Spagetti-like Nanoclusters"
    AIP Conference Proceedings, 982 (2008) 331-336.
  3. K. Nishikawa, T. Yamamoto, A.Sugiyama, A. Purqon, T. Mizukami, H. Shimahara, H. Nagao, K. Nishikawa
    "Free Energy Calculation of Docking Structure of Azurin(i)-Cytochrome c551(III) Complex Systems by using The Energy Representation"
    AIP Conference Proceedings 982 (2008) 780-783.
  4. T. Yamamoto, K. Nishikawa, A.Sugiyama, A. Purqon, T. Mizukami, H. Shimahara, H. Nagao, K. Nishikawa
    "Theoretical Studies of Free Energy in Docking Stability of Azurin(II)-Cytochrome c551(II) Complex System"
    AIP Conference Proceedings 982 (2008) 784-787.
    2007
  1. T. Oda, K. Sugimori, H .nagao, I. Hamada, S. Kagayama, M. Geshi, H. Nagara, K. Kusakabe, and N.Suzuki
    "Oxygen at High pressures: Theoretical Approach to Monoatomic Phases",
    J. Phys.: Condents. Matter, 19 (2007) 365211 (1-7) [doi]
  2. A. Purqon, A. Sugiyama, H.Nagao, K.Nishikawa
    "Aperture, symmetry, isotropy, and compactness analysis and their correlation in spaghetti-like nanostructure dynamics"
    Chem. Phys. Lett., 443 (2007) 356-363. [doi]
  3. K. Yamaguchi, Y. Kitagawa, S. Yamanaka, D. Yamaki, T.kawakami, M.Okumura, H.Nagao, S.P. Kruchinin
    "First principles calculations of effective exchange integrals for copper oxides and isoelectoronic species"
    NATO Science Series , II Mathematics, Physics and Chemistry -Vol.241
    "Electron Correlation in New Materials and Nanosystems",(Edited by Kurt Scharnberg and Sergei P.Kruchinin)
    Kluwer Academic Publishers (2007), 223-233. [doi]
  4. H. Kawabe, H. Nagao, S.P. Kruchinin
    "Exact solution of two-band superconcuctivity in ultrasmall grains"
    NATO Science Series , II Mathematics, Physics and Chemistry -Vol.241
    "Electron Correlation in New Materials and Nanosystems",
    (Edited by Kurt Scharnberg and Sergei P.Kruchinin)
    Kluwer Academic Publishers (2007), 129-139. [doi]
  5. H. Nagao, H. Kawabe, S.P. Kruchinin
    "Nanosize two-gap superconductivity"
    NATO science Series, II Mathematics, Physics and Chemistry - Vol.241
    "Electron Correlation in New Materials and Nanosystems",
    (Edited by Kurt Scharnberg and Sergei P.Kruchinin)
    Kluwer Academic Publishers (2007), 117-127. [doi]
  6. K. Nishikawa, K. Sugimori, H, Nagao
    "Laser Control of Photoassociation in Reaction O+H -> OH"
    AIP Conference Proceedings 963 (2007) 843-846. [doi]
  7. A. Sugiyama, K. Nishikawa, T. Yamamoto, A. Purqon, K. Nishikawa, H. Nagao
    "Theoretical Studies on Docking Dynamics and Electronic Structure in Matalloprotein Complexes"
    AIP Conference Proceedings 963 (2007) 322-325. [doi]
    2006
  1. D. H. Chi, N. T. Cuong, N. A. Tuan, Y-T. Kim, H. T. Bao, T. Mitani, T. Ozaki, and H. Nagao
    "Electronic structures of Pt clusters adsorbed on (5, 5) single wall carbon nanotube",
    Chem. Phys. Lett 432 (2006) 213-217. [doi]
  2. A. Sugiyama, Y Takamatsu, K. Nishikawa, H. Nagao, and K. Nishikawa
    "Docking stability and electronic structure of azurin-cytochrome c551 complex system",
    Int. J. Quantum Chem. 106 (2006) 3071-3078. [doi]
  3. K. Sugimori, T. Ito, Y. Takata, K. Ichitani, H. Nagao, and K. Nishikawa
    "Theoretical study of the dissociation process by multiphoton absorption in the diatomic molecule",
    Int. J. Quantum Chem. 106 (2006) 3079-3086. [doi]
  4. H. Nagao and H. Kawabe
    "Theoretical studies of the effect of pair scattering process on two-gap superconductivity in Eliashberg theory "
    Int. J. Quantum Chem. 106 (2006) 3048-3055. [doi]
  5. Y. Takamatsu, A. Sugiyama, A. Purqon, H. Nagao, and K. Nishikawa
    "Binding Free Energy Calculation and Structural Analysis for Antigen-Antibody Complex",
    AIP Conference Proceedings 832 (2006) 566-569. [doi]
  6. A. Sugiyama, Y. Takamatsu, A. Purqon, T. Mizukami, H. Nagao, and K. Nishikawa
    "Molecular Dynamics Study of Hydration Water Behavior in Blue Copper Protein",
    AIP Conference Proceedings 832 (2006) 570-573. [doi]
  7. A. Purqon, A. Sugiyama, Y. Takamatsu, H. Nagao, and K. Nishikawa
    "A Method of Classification and Recognition of Blue Copper Protein",
    AIP Conference Proceedings 832 (2006) 574-577. [doi]
  8. K. Yamaguchi, M. Nakano, H. Nagao, M. Okumura, S. Yamanaka, T. Kawakami, S. Yamada, D. Yamaki, Y. Kitagawa, R. Takeda, and H. Nitta
    "N-band Hubbard models. III. Boson-fermion and interaction-boson models for high-Tc superconductivity"
    Int. J. Quantum Chem. 106 (2006) 1052-1075. [doi]
    2005
  1. T. Ito, K. Sugimori, H. Nagao, and K. Nishikawa
    "Laser control of singlet-triplet transition in molecules by light-induced potentials"
    Proceedings of Regional Symposium on Chemical Engineering 2005, (2005) 131-135.
  2. H. Nagao and H. Kawabe
    "Theoretical studies on effective interactions in two-band system",
    Int. J. Quantum Chem. 105 (2005) 571-579. [doi]
  3. A. Sugiyama, K. Sugimori, T. Shuku, T. Nakamura, H. Saito, H. Nagao, H. Kawabe and K. Nishikawa
    "Electronic structure of the active site with two configrations of azurin",
    Int. J. Quantum Chem. 105 (2005) 588-587. [doi]
  4. K. Sugimori, T. Ito, H. Nagao and K. Nishikawa
    "Theoretical study of multiphoton processes in diatomic molecules",
    Int. J. Quantum Chem. 105 (2005) 596-604. [doi]
  5. A. Oda, H. Nagao, Y. Kitagawa, Y. Shigeta, M. Shoji, H. Nitta, M. Okumura and K. Yamaguchi
    "Search for the ground states of ising spin clusters by using the genetic algorithms",
    Int. J. Quantum Chem. 105 (2005) 645-654. [doi]
  6. H. Nagao
    "Spin susceptibility in many-band system",
    Polyhedron 24 (2005) 2389-2395. [doi]
  7. T. Oda, H. Nagao, A. Sugiyama and K. Wada
    " Electronic structure and magnetism at the active site in ferredoxin: Ab initio approach to (Fe2S2)2+ complex with the 1st peptide shell",
    Polyhedron 24 (2005) 2550-2556. [doi]
  8. K. Sugimori, T. Shuku, A. Sugiyama, H. Nagao, T. Sakurai and K. Nishikawa
    "Solvent Effects on Electronic Structure of Active Site of Azurin by Polarizable Continuum Model.",
    Polyhedron 24 (2005) 2671-2675. [doi]
  9. T. Shuku, K. Sugimori, A. Sugiyama, H. Nagao, T. Sakurai and K. Nishikawa
    "Molecular Orbital Analysis of Active Site of Oxidized Azurin: Dependency of Electronic Properties on Molecular Structure.",
    Polyhedron 24 (2005) 2665-2670. [doi]
  10. T. Ito, K. Sugimori, H. Nagao and K. Nishikawa
    "Laser control of singlet-triplet transition in molecules",
    Polyhedron 24 (2005) 2726-2731. [doi]
  11. K. Nishikawa, T. Ito, K. Sugimori, Y. Ohta and H. Nagao
    "Laser Control of Proton Motion in Porphyrin Derivative"
    Int. J. Quauntum Chem., 102 (2005) 665-672. [doi]
    2004
  1. H. Nagao
    "Theoretical studies on many-band effects in magnetism and superconductivity"
    Int. J. Quantum Chem., 100 (2004) 867-876. [doi]
  2. T. Ito, T. Yoshimoto, Y. Ohta, H. Kawabe, H. Nagao and K. Nishikawa
    "Formulation and numerical approach to molecular systems by the Green function method without Born-Oppenheimer approximation II: Nucleus-electron correlation"
    Int. J. Quantum Chem., 100 (2004) 918-926. [doi]
  3. S. Yamanaka, D. Yamaki, R. Takeda, H. Nagao, K. Yamaguchi
    "J-Model for Magnetism and Superconductivity of Triangular, Kagome, and Related Spin Lattice Systems."
    Int. J. Quantum Chem., 100 (2004) 1179-1196. [doi]
  4. S. Nakano, Y. Kitagawa, T. Kawakami, M. Okumura, H. Nagao and K. Yamaguchi
    "Theoretical Studies on Electronic States of Rh-C60. Possibility of a Room-temperature Organic Ferromagnet"
    Molecules, 9 (2004) 792-807. [link:pdf]
  5. H. Saito, A. Sugiyama, T. Yoshimoto, H. Nagao, T. Sakurai and K. Nishikawa
    "Theoretical study on local backbone dynamics of cupredoxin"
    AIP conference proceedings, 708 (2004) 360-361. [doi]
  6. A. Sugiyama, H. Saito, T. Yoshimoto, H. Nagao, T. Sakurai and K. Nishikawa
    "Theoretical study on vibrational dynamics of cupredoxin"
    AIP conference proceedings, 708 (2004) 362-363. [doi]
  7. K. Sugiyama, T. Yamaguchi, I. Sakamoto, T. Yoshimoto, H. Nagao and K. Nishikawa
    "Theoretical Study On Photoexcited States Of Strongly Correlated Electron Systems"
    AIP conference proceedings, 708 (2004) 753-754. [doi]
  8. T. Yamaguchi, I. Sakamoto, Y. Ohta, H. Nagao and K. Nishikawa
    "Laser control of non-stationary proton state in hydrogen-bonded system"
    AIP conference proceedings, 708 (2004) 787-788. [doi]
  9. T. Yamaguchi, Y. Ohta, K. Sugiyama, H. Nagao and K. Nishikawa
    "Control of cis-trans isomerization by stimulated Raman adiabatic passage method"
    AIP conference proceedings, 708 (2004) 793-794. [doi]
  10. I. Sakamoto, T. Yamaguchi, H. Nagao and K. Nishikawa
    "Quantum algorithm in quantum network systems"
    AIP conference proceedings, 708 (2004) 795-796. [doi]
  11. Y. Ohta, J. Maki, H. Nagao, and K. Nishikawa
    "Ionization process of the hydrogen atom in intense laser fields: Non-Born-Oppenheimer 1D model calculations"
    Int. J. Quantum Chem., 97(2004)891-895. [doi]
  12. N. Kato, H. Nagao, K. Nishikawa, K. Nishidate and K. Endo
    "Possibility of superconductivity in intercalation compound related to MgB2"
    Int. J. Quantum Chem., 96 (2004) 457-462. [doi]
  13. D. Yamaki, T. Ohsaku, H. Nagao and K. Yamaguchi
    "Formulation of unrestricted and restricted Hartree-Fock-Bogoliubov equations"
    Int. J. Quamtum Chem., 96 (2004) 10-16. [doi]
    2003
  1. K. Yamaguchi, T. Kawakami, T. Taniguchi, S. Nakano, Y. Kitagawa, H. Nagao, T. Ohsaku and R. Takeda
    "Theoretical studies of molecule-based magnetic conductors"
    Polyhedron, 22 (2003) 2077-2090. [doi]
  2. K. Yamaguchi , M, Nakano, H. Nagao, et al.
    "Spin and pseudo spins in theoretical chemistry. A unified view for superposed and entangled quantum systems"
    B. Kor. Chem. Soc., 24 (6) (2003) 864-880. [link]
  3. T. Yoshimoto, A. Sugiyama, K. Sugiyama, H. Nagao and K. Nishikawa
    "Theoretical studies on superconductivity by using the mean-field approximation"
    Recent Research Developments in Chemical Physics, 4 (2003) 395-420.
  4. H. Saito, H. Nagao and K. Nishikawa
    "Molecular collective dynamics and structural phase transition of solid para-hydrogen: The Parrinello-Rahman-type path integral centroid molecular dynamics study "
    Recent Research Developments in Chemical Physics, 4 (2003) 93-124.
  5. H. Nagao, H. Kawabe, S. P. Kruchinin and K. Yamaguchi
    "Superconductivity in two-band model by renormalization group approach"
    Int. J. Mod. Phys. B, 17 (2003) 3373-3376. [doi]
  6. H. Nagao, S. P. Kruchinin and K. Yamaguchi
    "Multizone superconductivity"
    Models and Methods of High-Tc Superconductivity -Some Frontal Aspects- Volume 1 Volume 241 in Horizons in World Physics edited by J. K. Srivastava, S. M. Rao (2003) Chapter 6, p206-214
  7. H. Nagao, H. Kawabe, S. P. Kruchinin, D. Manske and K. Yamaguchi
    "Theoretical studies on many-band effects in superconductivity by using renoemalization group approach"
    Mod. Phys. Lett. B, 17 (2003) 423-431. [doi]
  8. H. Saito, H. Nagao, K. Nishikawa and K. Kinugawa
    "Molecular collective dynamics in solid para-hydrogen and ortho-deuterium: The Parrinello--Rahman-type path integral centroid molecular dynamics approach"
    J. Chem. Phys., 119 (2003)953-963. [doi]
  9. K. Nishikawa, T. Yamaguchi, I. Sakamoto, K. Nishi, Y. Ohta and H. Nagao
    "Laser control of degenerated system by stimulated Raman adiabatic passage"
    Synthetic metals, 137(2003)1437-1438. [doi]
  10. K. Yamaguchi, D. Yamaki, Y. Kitagawa, M. Takahata, T. Kawakami, T. Ohsaku and H. Nagao
    "N-band Hubbard models II: Cooperative mechanisms of electron-phonon, Electron correlation, and many-band effects toward high-Tc superconductors"
    Int. J. Quantum Chem., 92(2003)47-70. [doi]
  11. Y. Ohta, T. Yoshimoto, H. Saito, H. Nagao and K. Nishikawa
    "Theoretical study on selective transition toward the control of chemical reaction by laser field"
    Recent Research Developments in Quantum Chemistry (Transworld Research Network), 3(2003)211-244.
  12. Y. Ohta, J. Maki, H. Nagao, H. Kono and Y. Fujimura
    "Dual transformation for Non-Born-Oppenheimer time-dependent density functional theory"
    Int. J. Quantum Chem., 91(2003)105-112. [doi]
    2002
  1. K. Nishikawa, Y. Ohta, T. Yoshimoto, T. Saito, K. Nishi and H. Nagao
    "Laser control of proton motion in malonaldehyde molecule"
    J. Mol. Struct., 615 (2002)13-22. [doi]
  2. H. Nagao, A. M. Yaremko, S. P. Kruchinin and K. Yamaguchi
    "Multi-band superconductivity"
    Int. J. Mod. Phys B., 16(2002)3419-3428. [doi]
  3. T. Kawakami, T. Taniguchi, Y. Kitagawa, Y. Takano, H. Nagao and K. Yamaguchi
    "Theoretical investigation of magnetic parameters in two-dimensional sheets of pure organic BEDT-TTF and BETS molecules by using ab initio MO and DFT methods"
    Molecular Physics, 100(2002)2641-2652. [doi]
  4. A. M. Yaremko, E. V. Mozdor, H. Nagao and S. P. Kruchinin
    "Two-particle Green function in the theory of superconductivity of HTSC and C60 crystals"
    NATO Science Series, II Mathematics, Physics and Chemistry -Vol.67 "New Trends in Superconductivity", (Edited by J.F.Annett and S.P.Kruchinin) Kluwer Academic Publishers (2002), 329-339.
  5. H. Nagao, A. M. Yaremko, S. P. Kruchinin and K. Yamaguchi
    "Many-band effects in Superconductivity"
    NATO Science Series, II Mathematics, Physics and Chemistry -Vol.67 "New Trends in Superconductivity", (Edited by J.F.Annett and S.P.Kruchinin) Kluwer Academic Publishers (2002), 155-165.
  6. R. Suzuki, H. Saito, T. Yamaguchi, A. Sugiyama, I. Sakamoto, H. Nagao and K. Nishikawa
    "QUANTUM BITS WITH ELECTRONIC CHARGE BY JOSEPHSON JUNCTION"
    Mol. Cryst. Liq. Cryst., 379(2002)561-566. [link]
  7. T. Yoshimoto, H. Saito, R. Suzuki, S. Nakano, H. Nagao, K. Yamaguchi and K. Nishikawa
    "ESTIMATION OF TRANSFER MATRIX OF AgO SYSTEM"
    Mol. Cryst. Liq. Cryst., 379 (2002)519-524. [link]
  8. S. Nakano, Y. Kitagawa, T. Kawakami, H. Nagao and K. Yamaguchi
    "Theoretical studies on SDW and CDW states of Cu and Ag Oxides under the periodic boundary condition"
    Mol. Cryst. Liq. Cryst., 379(2002)513-518. [link]
  9. H. Saito, R. Suzuki, K. Nishi, H. Nagao, K. Yamaguchi and K. Nishikawa
    "MOLECULAR DYNAMICS SIMULATION OF METAL OXIDES INCLUDING Ag"
    Mol. Cryst. Liq. Cryst., 379(2002)501-506. [link]
  10. H. Nagao, H. Saito, R. Suzuki, Y. Kitagawa, T. Kawakami and K. Yamaguchi
    "FIELD-INDUCED SUPERCONDUCTIVITY"
    Mol. Cryst. Liq. Cryst., 379(2002)495-500. [link]
  11. K. Yamaguchi, Y. Kitagawa, T. Onishi, H. Isobe, T. Kawakami, H. Nagao and S. Takamizawa
    "Spin-mediated superconductivity in cuprates, organic conductors and \pi-d conjugated systems."
    Coordination Chemistry Review., 226 (2002) 235-249. [doi]
  12. Y. Ohta, T. Yoshimoto, H. Saito, H. Nagao and K. Nishikawa
    "Theoretical study on selective transition toward the control of chemical reaction by laser field"
    Recent Research Developments in Quantum Chemistry, (2002) .
    2001
  1. K. Kinugawa, H. Nagao and K. Ohta
    "A semi-classical approach to the dynamics of many-body Bose/Fermi systems by the path integral centroid molecular dynamics"
    J. Chem. Phys., 114(2001)1454-1466.
  2. K. Kinugawa, H. Nagao and K. Ohta
    "A path integral centroid molecular dynamcis method for Bose and Fermi statistics"
    J. Mol. Liq., 90[1-3] (2001)11-20.
  3. H. Nagao, K. Kinugawa, Y. Shigeta, K. Ohta and K. Yamaguchi
    "Quantum spin dynamics in solution applicable to quantum computing"
    J. Mol. Liq., 90[1-3] (2001)63-68. [doi]
  4. Y. Shigeta, Y. Kitagawa, H. Nagao, Y. Yoshioka, J. Toyoda, K. Nakasuji and K. Yamaguchi
    "Theoretical studies on the proton and electron transfer (PET) in a pseudo one-dimensional hydrogen bonded network system"
    J. Mol. Liq., 90[1-3] (2001)69-74. [doi]
  5. T. Yoshimoto, A. Yoshinaga, J. Maki, H. Kawabe, H. Nagao and K. Nishikawa
    "Theoretical study on exciton molecule in two-dimensional systems"
    Synthetic Metals, 119[1-3] (2001)229-230. [doi]
  6. Y. Shigeta, H. Nagao, Y. Yoshioka, J. Toyoda, Y. Morita, K. Nakasuji and K. Yamaguchi
    "A theoretical study on conductivity of model polymer including DNA base pairs"
    Synthetic Metals, 119[1-3] (2001)259-260. [doi]
  7. J. Maki, T. Yoshimoto, H. Nagao and K. Nishikawa
    "Theoretical study on van der Waals and charge transfer interactions between molecules"
    Synthetic Metals, 120[1-3] (2001)765-766. [doi]
  8. A. Yoshinaga, T. Yoshimoto, J. Maki, H. Kawabe, H. Nagao, K. Yamaguchi and K. Nishikawa
    "Theoretical study on magnetic structures of noncolinear magnets"
    Synthetic Matals, 121[1-3] (2001)1786. [doi]
  9. Y. Ohta, T. Bando, K. Nishi, T. Hayashi, H. Nagao and K. Nishikawa
    "Control of proton tautomerization using laser field"
    Synthetic Metals, 121[1-3] (2001) 1483-1484. [doi]
  10. T. Bando, Y. Ohta, K. Nishi, H. Nagao and K. Nishikawa
    "Intermolecular double proton transfer controlled by laser field" Synthetic Metals, 121[1-3] (2001) 1485-1486. [doi]
  11. H. Kawabe, K. Kinugawa, H. Saito, H. Nagao, K. Yamaguchi and K. Nishikawa
    "Theoretical study on magnetic quantum tunneling of anisotropic spin systems with magnetic field" Synthetic Metals, 121[1-3] (2001) 1784-1785. [doi]
  12. H. Saito, K. Kinugawa, Y. Ohta, H. Nagao, K. Yamaguchi and K. Nishikawa
    "Quantum spin dynamics of antiferromagnetic ring with central excess spin" Synthetic Metals, 121[1-3] (2001) 1788-1789. [doi]
  13. K. Nishikawa, H. Nagao, J. Maki, H. Kawabe and K. Yamaguchi
    "Theoretical study on anomalous phases in organic systems with side chains" Synthetic Metals, 121[1-3] (2001) 1790-1791. [doi]
  14. H. Nagao, Y. Shigeta, K. Yamaguchi and K. Nishikawa
    "Theoretical study on triplet superconducting phase and other phases in hole-doped ferromagnetic systems" Synthetic Metals, 121[1-3] (2001) 1792-1793. [doi]
  15. "Theoretical study on dependence of hyperpolarizablility of one-dimensional ring system on delocalization transition"
    Int. J. Quantum Chem., 84 (2001)686. [doi]
  16. H. Nagao, Y. Kitagawa, T. Kawakami, T. Yoshimoto, H. Saito and K. Yamaguchi
    "Theoretical study on field-induced superconductivity in molecular crystals"
    Int. J. Quantum Chem., 85 (2001)608. [doi]
  17. H. Nagao, M. Nakano, K. Nishikawa and K. Yamaguchi
    "Theoretical study on quantum dynamics of bose system interacting with photon field"
    Int. J. Quantum Chem., 84 (2001)401. [doi]
    2000
  1. T. Soda, Y. Kitagawa, T. Onishi, Y. Takano, Y. Shigeta, H. Nagao, Y. Yoshioka, and K. Yamaguchi
    "Ab initio computations of effective exchange integrals for H-H, H-He-H and Mn2O2 complex: comparision of broken-symmetry approaches"
    Chem. Phys. Lett., 319[3-4](2000)223-230.
  2. H. Nagao, M. Nishino, Y. Shigeta, T. Soda, Y. Kitagawa, T. Onishi, Y. Yoshioka and K. Yamaguchi
    "Theoretical Studies on Effective Spin Interactions, Spin Alignments and Macroscopic Spin Tunneling in Polynuclear Manganese and Related Complexes and Their Mesoscopic Clusters"
    Coordination Chemistry Review, 198[1](2000)265-295.
  3. A. Oda, H. Nagao and K. Yamaguchi
    "Theoretical studies on network systems with interspin interactions by using the genetic algorithm"
    Prog. Theor. Phys. (Supplement), 138(2000)464-465.
  4. K. Kinugawa, H. Nagao and K. Ohta
    "Path integral centroid molecular dynamics simulation extended to Bose and Fermi statistics: method and applications"
    Prog. Theor. Phys. (supplement), 138(2000)531-532.
  5. Y. Shigeta, K. Kinugawa, H. Nagao, K. Ohta and K. Yamaguchi
    "Quantum spin dynamics by means of a path integral spin centroid method"
    Prog. Theor. Phys. (Supplement), 138(2000)533-534.
  6. K. Kamada, M. Ueda, H. Nagao, K. Tawa, T. Sugino, Y. Shimizu and K. Ohta
    "Molecular Design for Organic Nonlinear Optics: Polarizability and Hyperpolarizabilities of Furan Homologues Investigated by Ab Initio Molecular Method"
    J. Phys. Chem., 104(2000)4723-4734.
  7. H. Nagao, M. Nakano, K. Ohta, Y. Shigeta, S. Kiribayashi, Y. Yoshioka, and K. Yamaguchi
    "Exciton Condensate in Model Dendrimers"
    Mol. Cryst. Liq. Cryst., 342(2000)273-278.
  8. Y. Shigeta, H. Nagao,Y. Yoshioka, and K. Yamaguchi
    "Theoretical Studies on Quantum Tunneling of Spins in Cluster of Clusters"
    Mol. Cryst. Liq. Cryst., 342(2000)279-284.
  9. M. Takahata, H. Fujita, M. Nakano, S. Takamizawa, S. Kiribayashi, H. Nagao, and K. Yamaguchi
    "Exciton Migration Pathways in Dendritic Molecular Aggregates"
    Mol. Cryst. Liq. Cryst., 342(2000)297-302.
  10. H. Fujita, M. Takahata, M. Nakano, S. Kiribayashi, H. Nagao, and K. Yamagchi
    "Polarizabilities of Dendritic Molecular Aggregates: Contribution of Exciton Generation"
    Mol. Cryst. Liq. Cryst., 342(2000)303-308.
  11. S. Yamanaka, D. Yamaki, Y. Shigeta, H. Nagao, Y. Yoshioka, K. Yamaguchi, and N. Suzuki
    "Generalized spin-density functional calculation for the spin frustrated systems"
    Mol. Cryst. Liq. Cryst., 343(2000)139-144.
  12. M. Nishino, Y. Kitagawa, T. Onishi, T. Soda, Y. Takano, H. Nagao, Y. Yoshioka, and K. Yamaguchi
    "Theoretical Studies on Necessary Conditions for Reversible Photoinduced Magnetization: Cobalt-Iron Cyanide System"
    Mol. Cryst. Liq. Cryst., 343(2000)151-156.
  13. M. Takahata, H. Fujita, M. Nakano, S. Kiribayashi, H. Nagao, and K. Yamaguchi
    "Third-order nonlinear optical properties of fractal antenna molecular aggregates: effects of aggregate architecture"
    Nonlinear Optics, 26[1-3](2000)177-184.
  14. H. Fujita, M. Takahata, M. Nakano, S. Kiribayashi, H. Nagao, K. Yamaguchi
    "Spatial contribution of virtual excitations to the second hyperpolarizabilities of fractal antenna molecular aggregates"
    Nonlinear Optics, 26[1-3](2000)185-192.
  15. H. Nagao, M. Nakano, K. Kamada, K. Ohta, and K. Yamaguchi
    "Exciton dynamics in model dendrimers"
    Nonlinear Optics, 26[1-3](2000)193-200.
  16. A. Oda, H. Nagao, Y. Kitagawa, and K. Yamaguchi
    "Theoretical studies on magnetic behavior in clusters by the genetic algorithms"
    Int. J. Quantum. Chem., 80(2000)646-656.
  17. S. Yamanaka, D. Yamaki, Y. Shigeta, H. Nagao, Y. Yoshioka, N. Suzuki, and K. Yamaguchi
    "Generalized spin density functional theory for non-collinear molecular magnetism"
    Int. J. Quantum. Chem., 80(2000)664-671.
  18. D. Yamaki, Y. Shigeta, S. Yamanaka, H. Nagao, and K. Yamaguchi
    "MP2, Tamm-Dankoff, RPA and GE methods based on the generalized HF and DFT solution"
    Int. J. Quantum. Chem., 80(2000)701-707.
  19. H. Nagao, M. Nishino, Y. Shigeta, Y. Yoshioka, and K. Yamaguchi
    "Theoretical studies on superconducting and other phases: Triplet superconductivity, ferromagnetism and ferromagnetic metal"
    Int. J. Quantum. Chem., 80(2000)721-732.
  20. Y. Shigeta, H. Nagao, J. Toyoda, K. Nakasuji, Y.Yoshioka, and K. Yamaguchi
    "Theoretical study on dependency of conductivity on structure of the proton and electron coupled system"
    Int. J. Quantum. Chem., 80(2000)882-891.
  21. Y. Ohta, T. Yoshimoto, H. Nagao, and K. Nishikawa
    "Adiabatic population inversion in multilevel systems"
    Int. J. Quantum. Chem., 80(2000)1068-1075.
  22. H. Nagao, M. Nishino, Y. Shigeta, Y. Yoshioka and K. Yamaguchi
    "Theoretical Studies on Anomalous Phases of Photo-doped Systems in Two-band Model"
    J. Chem. Phys., 113(2000)11237-11244.
    1999
  1. S. Yamada, M.Nakano, H.Nagao and K.Yamaguchi
    "Electron correlation and structure dependeces of the second hyperpolarizability of ethylene"
    Int. J. Quantum Chem., 71(1999)177-184.
  2. M. Nakano, S. Yamada, H. Nagao and K.Yamaguchi
    "Numerical coupled Liouville approach: application to second hyperpolarizability of molecular aggregate"
    Int. J. Quantum Chem., 71(1999)295-306.
  3. H. Nagao, S. Yamanaka, M. Nishino, Y. Yoshioka and K. Yamaguchi
    "Theoretical Studies on the Magnetic Quantum Tunneling Rate in Mn Clusters by the Path Integral Method"
    Chem. Phys. Lett., 302[5-6](1999)418-424.
  4. K. Yamaguchi, S. Yamanaka, M. Nishino, Y. Takano, Y. Kitagawa, H. Nagao and Y.Yoshioka
    "Symmetry and Broken Symmetries in MO Descriptions of Unstable Molecules II. Alignment, Flustration and Tunnelling of Spins in Molecular Magnets"
    Theor. Chem. Acc., 102(1999)328-345.
  5. K. Kinugawa, H. Nagao and K. Ohta
    "The Path integral centroid molecular dynamics method for Bose and Fermi statistics: formalism and simulation"
    Chem. Phys. Lett., 307(3-4)(1999)187-197.
  6. H. Nagao, M. Nakano, Y. Shigeta and K.Yamaguchi
    "Quantum Phase Dynamics of Interaction between Photon Field and Magnetic System: Effects of Magnetic Quantum Tunnelling"
    Optical Review, 6(1999)227-231.
  7. Y. Shigeta, T. Kawakami, M. Okumura, H. Nagao and K. Yamaguchi
    "Theoretical studies of magnetization by ab initio path integral method"
    Synthetic Metals, 103[1-3](1999)1989-1990. [doi]
  8. D. Yamaki, H. Nagao, M. Nakano, Y. Yoshioka and K. Yamaguchi
    "Visualization of two-body electron-densities and wave-functions for several molecules"
    Synthetic Metals, 103[1-3](1999)2002-2003. [doi]
  9. H. Nagao, H. Kawabe, M. Nishino, Y. Shigeta, M. Mitani and K. Yamaguchi
    "Theoretical studies on anomalous phases in model plane systems of LiBeH3"
    Synthetic Metals, 103[1-3](1999)2651-2652. [doi]
  10. Y. Shigeta, H. Nagao, S. Yamada, M. Nakano, K. Ohta and K. Yamaguchi
    "Theoretical Studies on Polarizability of Ethylene by Path intergal Method"
    Synthetic Metals, 101[1-3](1999)513. [doi]
  11. Y. Shigeta, H. Nagao, K. Nishikawa and K. Yamaguchi
    "A formulation and numerical approach to molecular systems by the Green function method without the Born-Oppenheimer approximation"
    J. Chem. Phys., 111(1999)6171-6179.
  12. M. Nishino, H. Nagao, Y. Yoshioka and K. Yamaguchi
    "Dynamics of magnetization for a system (S=3) with strong uniaxial magnetocrystalline anisotropy"
    Mol. Cryst. Liq. Cryst., 335(1999)1305-1314.
  13. H. Nagao, M. Mitani, M. Nishino, Y. Shigeta, Y. Yoshioka and K. Yamaguchi
    "Theoretical studies on anomalous phases in molecular systems with external field: Possibility of photo-induced superconductivity" Int. J. Quantum Chem., 75(1999)549-561.
  14. D. Yamaki, H. Nagao, M. Nakano, Y. Yoshioka and K. Yamaguchi
    "Visualization of two-body electron-densities and wave-functions for the magnetic molecules"
    Int. J. Quantum Chem., 75(1999)645-654.
  15. Y. Shigeta, H. Takahashi, M. Mitani, S. Yamanaka, H. Nagao and K. Yamaguchi
    "Density Functional Theory without Born-Oppenheimer Approximation and its application II Greens function method"
    Int. J. Quantum Chem., 75(1999)875-883.
  16. Y. Shigeta, T. Kawakami, H. Nagao and K. Yamaguchi
    "A theoretical study of spin level crossing induced by an external magnetic field of ring molecule magnet models"
    Chem. Phys. Lett., 315[5-6](1999)441-445.
    1998
  1. Y. Shigeta, Y. Ozaki, K. Kodama, H. Nagao, H. Kawabe and K. Nishikawa
    "Non-adiabatic Molecular Theory and It's application. II. Water Molecule"
    Int. J. Quantum Chem., 69(1998)629-637.
  2. Y. Shigeta, H. Takahashi, S. Yamanaka, M. Mitani, H. Nagao and K. Yamaguchi
    "Density Functional Theory without Born-Oppenheimer Approximation and its application"
    Int. J. Quantum Chem., 70(1998)659-669.
  3. K. Kamada, M. Ueda, H. Nagao, K. Tawa, T. Sugino, Y. Shimizu and K. Ohta
    "Effect of Heavy Atom on the Second Hyperpolarizability of Tetrahydrofuran Homologues Investigated by Ab Initio Molecular Orbital Method"
    Int. J. Quantum Chem., 70 (1998)737-743.
  4. H. Nagao, M. Mitani, M. Nishino, Y. Shigeta, Y. Yoshioka and K. Yamaguchi
    "Possibility of Charge-mediated superconductors in the intermedtated region of metal-insulator transitions"
    Int. J. Quantum Chem., 70(1998)1075-1084.
    1997
  1. M. Nakano, H. Nagao and K. Yamaguchi
    "Many-electron hyperpolarizability density analysis: application to dissociation process of one-dimensional H2"
    Phys. Rev. A 55(1997)1503-1513.
  2. H. Nagao, M. Nakano, S. Yamada, K. Ohta and K. Yamaguchi
    "Theoretical study on the second hyperpolarizability of H3+ system by path integral method"
    Synthetic Metals, 85[1-3](1997)1159-1160. [doi]
  3. S. Kiribayashi, M. Nakano, S. Yamada, I. Shigemoto, H. Nagao and K. Yamaguchi
    "Theoretical studies for second hyperpolarizabilities of alternant and condensed-ring conjugated systems II"
    Synthetic Metals, 85(1997)1163-1164. [doi]
  4. T. Kawakami, H. Nagao, W. Mori and K. Yamaguchi
    "Calculation of magnetization by path integral method"
    Synthetic Metals, 85(1997)1753-1754. [doi]
  5. H. Nagao, Y. Shigeta, H. Kawabe, T. Kawakami, K. Nishikawa and K.Yamaguchi
    "Path Integral method by means of generalized coherent states and its numerical approach to molecular systems. I.Ensemble average of total energy"
    J. Chem. Phys., 107(1997)6283-6289.
  6. H. Kawabe, K. Kodama, H. Nagao and K. Nishikawa
    "Finite Temperature ab initio Calculation by Path Integral Monte Carlo Method"
    Int. J. Quantum Chem., 65(1997)471-476.
  7. H. Nagao, M. Nakano, K. Ohta and K. Yamaguchi
    "Theoretical study of second hyperpolarizability by path integral method: Effects of external magnetic field"
    Int. J. Quantum Chem., 65(1997)697-707.
  8. H. Nagao, M. Nishino, M. Mitani, Y. Yoshioka and K. Yamaguchi
    "Possibilities of charge- and/or spin-mediated superconductors and photo induced superconductor in the intermidiated region of metal-insulator transitions"
    Int. J. Quantum Chem., 65(1997)947-964.
    1996
  1. M. Nakano, Y. Matsuzaki, H. Nagao, S. Yamada, I. Shigemoto and K. Yamaguchi
    "Damping wave packet approach: a calculation method of nonpertubative nonlinear optical susceptibilities including effects of nuclear motion at finite temperatures"
    Chem. Phys. Lett., 258[1-2](1996)307-315.
  2. H. Nagao, H. Kawabe, T. Kawakami, M. Okumura, W. Mori, K. Nishikawa and K. Yamaguchi
    "Calculation of Magnetization by Path Integral Method I"
    Mol. Cryst. Liq. Cryst., 286(1996)171-176.
  3. T. Kawakami, H. Nagao, K. Ueda, W. Mori and K. Yamaguchi
    "Calculation of Magnetization by Path Integral Method II"
    Mol. Cryst. Liq. Cryst., 286(1996)177-184.
  4. H. Kawabe, H. Nagao and K. Nishikawa
    "Path integral formulation for many-electron system"
    Int. J. Quantum Chem., 59(1996)457-469.
  5. H. Kawabe, H. Nagao and K. Nishikawa
    "Path integral monte carlo method for ab initio calculation"
    Int. J. Quantum Chem., 60(1996)1223-1229.
  6. H. Nagao, H. Kawabe, K. Kodama, Y. Shigeta, K. Nishikawa, M. Nakano and K. Yamaguchi
    "Nonadiabatic treatment of molecular system by the wavepackets method"
    Int. J. Quantum Chem., 60(1996)1261-1269.
  7. H. Nagao, M. Nakano, S. Yamanaka, Y. Shigeta, S. Yamada, D. Yamaki, I. Shigemoto, S. Kiribayashi and K. Yamaguchi
    "Many-electron-wavepackets method"
    Int. J. Quantum Chem., 60(1996)1291-1301.

著書、総説

  • 長尾秀実　共著;
    「物理化学実験法」第四版　千原秀昭、徂徠道夫　編、 第二章　可視紫外吸収スペクトル　担当、東京化学同人、2000年9月1日
  • 川上貴資、北河康隆、山木大輔、山口兆、長尾秀実;
    　「固体物理」誌上セミナー 　「分子磁性の理論（その１６：最終回） BECからBCSへのクロスオーバーと高温超伝導発現機構」 　Vol.41 No.3 (2006) 157-169.
  • 川上貴資、山口兆、長尾秀実;
    　「固体物理」＜相関電子系の物質設計＞特集号 　「強電子相関系への量子化学的アプローチ」 　Vol.36 No.10 (2001) 665-678.
  • S. P. Kruchinin and H. Nagao
    "1.4 Multi-Gap Superconductivity in MgB2" ERICE 2003 proceedings, Springer, NATO Science Series II: Mathematics, Physics and Chemistry -Vol.214 Dordrecht/Boston/London "Symmetry and Heterogeneity in High Temperature Superconductors", (Edited by A. Bianconi) Kluwer Academic Publishers (2006) 65-76.
  • H. Nagao
    "Chapter 4. Structure and Dynamics of Manganese Oxide Clusters and Related Systems", P137-160. Organometallic Conjugation -Structures, Reactions and Functions of d-d and d-\pi Conjugated Systems-, (ed. A. Nakamura, N. Ueyama and K. Yamaguchi) KODANSHA Springer, (2002)
  • H. Nagao, A. M. Yaremko, S. P. Kruchinin, K. Yamaguchi
    "Many-band effects in Superconductivity" NATO Science Series, II Mathematics, Physics and Chemistry -Vol.67 "New Trends in Superconductivity", (Edited by J.F.Annett and S.P.Kruchinin) Kluwer Academic Publishers (2002), 155-165.
  • A. M. Yaremko, E. V. Mozdor, H. Nagao, S. P. Kruchinin
    "Two-particle Green function in the theory of superconductivity of HTSC and C60 crystals" NATO Science Series, II Mathematics, Physics and Chemistry -Vol.67 "New Trends in Superconductivity", (Edited by J.F. Annett and S.P. Kruchinin) Kluwer Academic Publishers (2002), 329-339.
  • H. Nagao, S. P. Kruchinin, K. Yamaguchi
    "Multizone superconductivity" Models and Methods of High-Tc Superconductivity -Some Frontal Aspects- Volume 1 Volume 241 in Horizons in World Physics edited by J. K. Srivastava, S. M. Rao (2003) Chapter 6
  • 長尾秀実　共著;
    「物性量子化学入門」　山口兆、岡泰規、中野雅由、長尾秀実、奥村充孝　編、 第７章　高温および分子性超伝導　 第１２章　磁場や光により誘起される物性発現　 第１３章　分子素子および生体分子素子　担当、講談社サイエンティフィク、2004年10月1日

特許

  • 量子演算素子および量子演算器　 福見俊夫・長尾秀実・太田浩二・鎌田賢司　 出願日1997年3月7日、特願平9-70513、公開日1998年9月25日、特開平10-254569