Archives

Papers
Books
Patents

Home <<

Papers

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.

Books

  • 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、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.
  • 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

Patents

  • 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