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  1. M. Mito, H. Tsuji, T. Tajiri, K. Nakamura, Y. Tang, Z. Horita, Superconductivity of barium with highest transition temperatures in metallic materials at ambient pressure, Sci. Rep. 14, 965 (2024).

  2. S. Hayakawa, T. Chono, K. Watanabe, S. Kawano, K. Nakamura, K. Miyazaki, Ab initio calculation for electronic structure and optical property of tungsten carbide in a TiCN‑based cermet for solar thermal applications, Sci. Rep. 13, 9407 (2023).

  3. H. Hanate, . Kawano, M. Hayashida, K. Nakamura, Y. Ikemoto, T. Moriwaki, T. Hasegawa, S. Tsutsui, K. Matsuhira, Insulating Nature of Iridium Oxide Ca5Ir3O12 Probed by Synchrotron-Radiation-Based Infrared Spectroscopy, J. Phys. Soc. Jpn. 92 064705 (1-6) (2023).

  4. T. Furuta, K. Hamada, M. Oda, K. Nakamura, Hidden Markov model analysis for fluorescent time series of quantum dots, Phys. Rev. B. 106, 104305 (1-15) (2022).

  5. S. Kanno, T. Tada, T. Utsumi, K. Nakamura, H. Hosono, Electronic correlation strength of inorganic electrides from first principles, J. Phys. Chem. Lett. 12, 12020–12025 (2021).

  6. M. Charlebois, J.-B. Morée, K. Nakamura, Y. Nomura, T. Tadano, Y. Yoshimoto, Y. Yamaji, T. Hasegawa, K. Matsuhira, M. Imada, Ab initio derivation of low-energy Hamiltonians for systems with strong spin-orbit interaction: Application to Ca5Ir3O12, Phys. Rev. B 104, 075153 (1-19) (2021).

  7. K. Nakamura, Y. Yoshimoto, Y. Nomura, T. Tadano, M. Kawamura, T. Kosugi, K. Yoshimi, T. Misawa, Y. Motoyama, RESPACK: An ab initio tool for derivation of effective low-energy model of material, Comput. Phys. Commun. 261, 107781 (1-20) (2021).

  8. H. Hanate, T. Hasegawa, S. Tsutsui, K. Nakamura, Y. Yoshimoto, N. Kishigami, S. Haneta, K. Matsuhira, Study of phonon dispersion of iridium oxide Ca5Ir3O12 with strong spin–orbit interaction, J. Phys. Soc. Jpn. 89 053601 (1-5) (2020).

  9. T. Hasegawa, W. Yoshida, K. Nakamura, N. Ogita, K. Matsuhira, Raman scattering investigation of structural transition in Ca5Ir3O12, J. Phys. Soc. Jpn. 89, 054602 (1-11) (2020).

  10. H. Hanate, K. Nakamura, K. Matsuhira, Harmonic voltage response to AC current in the nonlinear conductivity of iridium oxide Ca5Ir3O12, J. Magn. Magn. Mater. 498, 166203 (1-4) (2020).

  11. Y. Nomura, M. Hirayama, T. Tadano, Y. Yoshimoto, K. Nakamura, R. Arita, Formation of a two-dimensional single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2, Phys. Rev. B 100, 205138 (1-11) (2019).

  12. M. Mito, T. Tajiri, S. Saisho, H. Deguchi, A. Kohno, K. Nakamura, Anisotropic compression effects on nanocrystalline crystals of nickel oxide, J. Magn. Magn. Mater. 489, 165407 (1-7) (2019).

  13. M. Mito, Y. Kitamura, T. Tajiri, K. Nakamura, R. Shiraishi, K., Ogata, H. Deguchi, T. Yamaguchi, N. Takeshita, T. Nishizaki, K. Edalati, Z. Horita, Hydrostatic pressure effects on superconducting transition of nanostructured niobium highly strained by high-pressure torsion, J. Appl. Phys. 125, 125901 (1-14) (2019).

  14. M. Mito, K. Nakamura, K. Matsumoto, Y. Takano, Uniaxial compression effects on cuprate superconductors, Review of High Pressure Science and Technology/Koatsuryoku No Kagaku To Gijutsu 29, 262–271 (2019).

  15. M. Mito, S. Shigeoka, H. Kondo, N. Noumi, Y. Kitamura, K. Irie, K. Nakamura, S. Takagi, H. Deguchi, T. Tajiri, M. Ishizuka, T. Nishizaki, K. Edalati, Z. Horita, Hydrostatic compression effects on fifth-group element superconductors V, Nb, and Ta subjected to high-pressure torsion, Mater. Trans. 60 (8), 1472–1483 (2019).

  16. K. Matsuhira, K. Nakamura, Y. Yasukuni, Y. Yoshimoto, D. Hirai, Z. Hiroi, Nonlinear conductivity of geometrically frustrated iridate Ca5Ir3O12, J. Phys. Soc. Jpn. 87, 013703 (1-5) (2018).

  17. M. Mito, K. Ogata, H. Goto, K. Tsuruta, K. Nakamura, H. Deguchi, T. Horide, K. Matsumoto, T. Tajiri, H.  Hara, T. Ozaki, H. Takeya, Y. Takano, Uniaxial strain effects on superconducting transition in Re-doped Hg-1223 cuprate superconductors, Phys. Rev. B 95, 064503 (1-10) (2017).

  18. M. Mito, H. Matsui, K. Tsuruta, T. Yamaguchi, K. Nakamura, H. Deguchi, N. Shirakawa, H. Adachi, T. Yamasaki, H. Iwaoka, Y. Ikoma, Z. Horita, Large enhancement of superconducting transition temperature in single-element superconducting rhenium by shear strain, Sci. Rep. 6, 36337 (1-8) (2016).

  19. K. Nakamura, Y. Nohara, Y. Yosimoto, Y. Nomura, Ab initio GW plus cumulant calculation for isolated band systems: Application to organic conductor (TMTSF)2PF6 and transition-metal oxide SrVO3, Phys. Rev. B 93, 085124 (1-13) (2016).

  20. Y. Nomura, K. Nakamura, R. Arita, Effect of Electron-Phonon Interactions on Orbital Fluctuations in Iron-Based Superconductors, Phys. Rev. Lett. 112, 027002 (1-5) (2014).  

  21. K. Nakamura, S. Sakai, R. Arita, K. Kuroki, GW calculation of plasmon excitations in the quasi-one-dimensional organic compound (TMTSF)2PF6, Phys. Rev. B 88, 125128 (1-5) (2013).

  22. K. Nakamura, Y. Yoshimoto, M. Imada, Ab initio two-dimensional multiband low-energy models of EtMe3Sb[Pd(dmit)2]2 and k-(BEDT-TTF)2Cu(NCS)2 with comparisons to single-band models, Phys. Rev. B 86, 205117 (1-9) (2012).

  23. R. Akashi, K. Nakamura, R. Arita, M. Imada, High-temperature Superconductivity in Layered Nitrides b-LixMNCl (M=Ti, Zr, Hf): Insights from Density functional Theory for Superconductors, Phys. Rev. B 86, 054513 (1-16) (2012).

  24. Y. Nomura, M. Kaltak, K. Nakamura, C. Taranto, S. Sakai, A. Toschi, R. Arita, K. Held, G. Kresse, M. Imada, Effective Onsite Interaction for Dynamical Mean-Field Theory, Phys. Rev. B 86, 085117 (1-8) (2012).

  25. T. Misawa, K. Nakamura, M. Imada, Ab initio Evidence for Strong Correlation Associated with Mott Proximity in Iron-based Superconductors, Phys. Rev. Lett. 108, 177007 (1-5) (2012).

  26. Y. Nomura, K. Nakamura, R. Arita, Ab initio derivation of electronic low-energy models for C60 and aromatic compounds, Phys. Rev. B 85, 155452 (1-12) (2012). 

  27. S. Konbu, K. Nakamura, H. Ikeda, R. Arita, Effects of transition-metal substitution in the iron-based superconductor LaFeAsO: Momentum- and real-space analysis from first principles, Solid State Commun. 152, 728-734 (2012).

  28. H. Shinaoka, T. Misawa, K. Nakamura, M. Imada, Mott Transition and Phase Diagram of k-(BEDT-TTF)2Cu(NCS)2 Studied by Two Dimensional Model Derived from Ab initio Method, J. Phys. Soc. Jpn. 81, 034701 (1-12) (2012).

  29. Y. Nohara, K. Nakamura, R. Arita, Ab initio Derivation of Correlated Superatom Model for Potassium Loaded Zeolite A, J. Phys. Soc. Jpn. 80, 124705 (1-7) (2011).  

  30. S. Konbu, K. Nakamura, H. Ikeda, R. Arita, Fermi-Suface Evolution by Transition-Metal Substitution in the Iron-based Superconductor LaFeAsO, J. Phys. Soc. Jpn. 80, 123701 (1-4) (2011).

  31. Y. Matsushita, K. Nakamura, A. Oshiyama, Comparative study of hybrid functionals applied to structural and electronic properties of semiconductors and insulators, Phys. Rev. B 84, 075205 (1-13) (2011).

  32. K. Nakamura, R. Arita, H. Ikeda, First-principles calculation of transition-metal impurities in LaFeAsO, Phys. Rev. B 83,  144512 (1-9) (2011).

  33. T. Misawa, K. Nakamura, M. Imada, Magnetic Properties of Ab initio Model of Iron-Based Superconductors LaFeAsO, J. Phys. Soc. Jpn. 80, 023704 (1-4) (2011). 

  34. K. Nakamura, Y. Yoshimoto, Y. Nohara, M. Imada, Ab initio Low-Dimensional Physics Opened Up by Dimensional Downfolding: Application to LaFeAsO, J. Phys. Soc. Jpn. 79, 23708 (1-4) (2011).

  35. J. Ohe, Y. Tomoda, N. Bulut, R. Arita, K. Nakamura, S. Maekawa, Magnetic properties of diluted magnetic semiconductors: Quantum Monte Carlo approach, J. Magn. Magn. Mater. 322, 1192-1194 (2010).

  36. D. Louca, K. Horigane, A. Llobet, R. Arita, S. Ji, N. Katayama, S. Konbu, K. Nakamura, T.-Y. Koo, P. Tong, K. Yamada, Local atomic structure of superconducting FeSe1−xTex, Phys. Rev. B 81, 134524 (1-8) (2010).

  37. T. Miyake, K. Nakamura, R. Arita, M. Imada, Comparison of Ab initio Low-Energy Models for LaFePO, LaFeAsO, BaFe2As2, LiFeAs, FeSe and FeTe: Electron Correlation and Covalency, J. Phys. Soc. Jpn. 79, 044705 (1-20) (2010).

  38. Y. Nohara, K. Nakamura, R. Arita, Spin density functional study on magnetism of potassium loaded Zeolite A, Phys. Rev. B 80, 220410(R) (1-4) (2009).

  39. K. Nakamura, T. Koretsune, R. Arita, Ab initio Derivation of Low-Energy Model for Alkali-Cluster-Loaded Sodalites, Phys. Rev. B 80, 174420 (1-8) (2009).

  40. J. Ohe, Y. Tomoda, N. Bulut, R. Arita, K. Nakamura, and S. Maekawa, Combined Approach of Density Functional Theory and Quantum Monte Carlo Method to Electron Correlation in Dilute Magnetic Semiconductors, J. Phys. Soc. Jpn. 78, 083703 (1-4) (2009).

  41. K. Nakamura, Y. Yoshimoto, T. Kosugi, R. Arita, M. Imada, Ab initio Derivation of Low-Energy Model for k-ET Type Organic Conductors, J. Phys. Soc. Jpn. 78, 083710 (1-4) (2009).

  42. K. Nakamura, R. Arita, M. Imada, Ab initio Derivation of Low-Energy Model for Iron-Based Superconductors LaFeAsO and LaFePO, J. Phys. Soc. Jpn. 77, 093711 (1-4) (2008).

  43. K. Nakamura, Y. Yoshimoto, R. Arita, S. Tsuneyuki, M. Imada, Optical Absorption Study by Ab initio Downfolding Approach: Application to GaAs, Phys. Rev. B 77, 195126 (1-13) (2008).

  44. K. Nakamura, R. Arita, Y. Yoshimoto, S. Tsuneyuki, First-principles calculation of effective onsite Coulomb interactions of 3d transition metals: Constrained local density functional approach with maximally localized Wannier functions, Phys. Rev. B 74, 235113 (1-5) (2006).

  45. K. Nakamura, S. Tsuneyuki, Effect of Through-space Electron Transfer on Infrared Spectrum of Amorphous Selenium, J. Chem. Phys. 122, 194503 (1-8) (2005). 

  46. K. Nakamura, A. Ikawa, Medium-range Order in Amorphous Selenium: Molecular Dynamics Simulations, Phys. Rev. B 67, 104203 (1-12) (2003).

  47. K. Nakamura, A. Ikawa, Vibrational Properties of A Regular Helical Se Chain, Phys. Rev. B 66, 024306 (1-13) (2002).

  48. K. Nakamura, A. Ikawa, Microscopic Understanding of Vibrational Spectra of Amorphous Selenium, J. Non Cryst. Solids 312-314, 168-171 (2002).

  49. K. Nakamura, A. Ikawa, Infrared Absorption in Amorphous Selenium, Comput. Phys. Commun. 142, 295-299 (2001).

  50. K. Nakamura, A. Ikawa, Interchain Interaction in Semiconducting Liquid and Amorphous Selenium, Prog. Theor. Phys. Suppl. 138, 266-267 (2000).

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