Hitoshi Fukui

  • 679 Citations
  • 14 h-Index
20082015
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  • 12 Similar Profiles
Density functional theory Chemical Compounds
density functional theory Physics & Astronomy
optical properties Physics & Astronomy
Metals Chemical Compounds
augmentation Physics & Astronomy
Graphite Chemical Compounds
Electrons Chemical Compounds
orbitals Physics & Astronomy

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Research Output 2008 2015

  • 679 Citations
  • 14 h-Index
  • 24 Article
  • 3 Conference contribution

Approximate spin projected spin-unrestricted density functional theory method: Application to diradical character dependences of second hyperpolarizabilities

Nakano, M., Minami, T., Fukui, H., Yoneda, K., Shigeta, Y., Kishi, R., Champagne, B. & Botek, E., 1 Jan 2015, Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010. Simos, T. E., Simos, T. E., Maroulis, G., Simos, T. E. & Simos, T. E. (eds.). American institute of physics, p. 30-34 5 p. 4906627. (AIP Conference Proceedings; vol. 1642).

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

density functional theory
projection
functionals
occupation
broken symmetry

Relationship between second hyperpolarizability and diradical character in open-shell singlet metal-metal multiply bonded systems

Fukui, H., Botek, E., Champagne, B., Shigeta, Y. & Nakano, M., 1 Jan 2015, Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010. Simos, T. E., Simos, T. E., Maroulis, G., Simos, T. E. & Simos, T. E. (eds.). American institute of physics, p. 245-248 4 p. 4906663. (AIP Conference Proceedings; vol. 1642).

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

metal shells
orbitals
metals
molecular orbitals
optical properties

Static electric field effect on third-order nonlinear optical (NLO) properties of singlet diradical molecules: Toward the realization of an electric field induced open-shell NLO switch

Nakano, M., Minami, T., Fukui, H., Yoneda, K., Shigeta, Y., Champagne, B., Botek, E., Ohta, K., Kamada, K. & Kubo, T., 1 Jan 2015, Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010. Simos, T. E., Simos, T. E., Maroulis, G., Simos, T. E. & Simos, T. E. (eds.). American institute of physics, p. 477-480 4 p. 4906724. (AIP Conference Proceedings; vol. 1642).

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

switches
optical properties
electric fields
configuration interaction
molecules

Open-shell character and second hyperpolarizabilities of one-dimensional chromium(II) chains: Size dependence and bond-length alternation effect

Fukui, H., Takamuku, S., Yamada, T., Fukuda, K., Takebayashi, T., Shigeta, Y., Kishi, R., Champagne, B. & Nakano, M., 18 Aug 2014, In : Inorganic Chemistry. 53, 16, p. 8700-8707 8 p.

Research output: Contribution to journalArticle

alternations
Bond length
Chromium
chromium
Metals

Diradicalology in Third-Order Nonlinear Optical Systems: Second Hyperpolarizabilities of Acetylene-Linked Phenalenyl-Based Superpolyenes

Nakano, M., Kishi, R., Fukui, H., Minami, T., Yoneda, K., Minamide, S., Inoue, Y., Yamada, T., Ito, S., Muhammad, S., Shigeta, Y., Kubo, T. & Champagne, B., 15 Feb 2013, In : International Journal of Quantum Chemistry. 113, 4, p. 585-591 7 p.

Research output: Contribution to journalArticle

Acetylene
pyrenes
Optical systems
acetylene
rings