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10 Result(s)

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  1. No Access

    Book

    Excitation Energies and Properties of Open-Shell Singlet Molecules

    Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission

    Masayoshi Nakano in SpringerBriefs in Molecular Science (2014)

  2. No Access

    Chapter

    Introduction

    The concept of “diradical character based design” for efficient functional substances is introduced using the dissociation process of a . The , which is one of the quantum-chemically well-defined chemical in...

    Masayoshi Nakano in Excitation Energies and Properties of Open-Shell Singlet Molecules (2014)

  3. No Access

    Chapter

    Summary and Future Prospects

    The for efficient functional substances—highly efficient open-shell singlet nonlinear optical (NLO) systems and molecules—are summarized. The remaining problems to be solved for designing and SF materi...

    Masayoshi Nakano in Excitation Energies and Properties of Open-Shell Singlet Molecules (2014)

  4. No Access

    Chapter

    Electronic Structures of Asymmetric Diradical Systems

    In this chapter, we present analytical expressions for electronic energies and wavefunctions of the ground and excited states as well as for the excitation energies and transition properties of asymmetric as...

    Masayoshi Nakano in Excitation Energies and Properties of Open-Shell Singlet Molecules (2014)

  5. No Access

    Chapter

    Diradical Character View of Singlet Fission

    Singlet fission is one of the internal conversion process in which a splits into two triplet excitons having long . This phenomenon is expected to be useful for significantly improving the efficiency in o...

    Masayoshi Nakano in Excitation Energies and Properties of Open-Shell Singlet Molecules (2014)

  6. No Access

    Chapter

    Electronic Structures of Symmetric Diradical Systems

    In general, the electronic structures of a molecular system is characterized by using the “diradical character”, which is well defined in quantum chemistry and implies a chemical index of a bond nature. In thi...

    Masayoshi Nakano in Excitation Energies and Properties of Open-Shell Singlet Molecules (2014)

  7. No Access

    Chapter

    Diradical Character View of (Non)Linear Optical Properties

    In this chapter, we clarify the diradical character dependences of (hyper)polarizabilities, which are molecular origins of (non)linear optical responses, in static and resonant cases based on the diradical cha...

    Masayoshi Nakano in Excitation Energies and Properties of Open-Shell Singlet Molecules (2014)

  8. No Access

    Article

    Theoretical Studies on the Second Hyperpolarizabilities of Trithiapentalene and Its Donor and Acceptor Disubstituted Species

    We study the third-order optical nonlinearity for some interesting ϖ-conjugated systems involving sulfur (S) atoms. The static second hyperpolarizabilities (γ) for l, 6, 6a-trithiapentalene and its donor-and a...

    Masayoshi Nakano, Satoru Yamada, Kizashi Yamaguchi in Optical Review (1999)

  9. No Access

    Article

    Quantum Phase Dynamics of Interaction between Photon Field and Magnetic System: Effects of Magnetic Quantum Tunnelling

    We investigate the dynamics of probability distributions of an initially one-mode coherent field interacting with a four-state molecular system, which is a single magnet with a tunneling across an anisotropic ...

    Hidemi Nagao, Masayoshi Nakano, Yasuteru Shigeta, Kizashi Yamaguchi in Optical Review (1999)

  10. No Access

    Article

    Theoretical Study on the Second Hyperpolarizabilities for Small Radical Systems

    We study the second hyperpolarizabilities (ɣ) for anion, neutral and cation radicals and find that magnitudes of ɣ (| ɣ |) of the radicals are sensitively influenced by features of each charged state. It is al...

    Satoru Yamada, Masayoshi Nakano, Masamichi Nishino, Kizashi Yamaguchi in Optical Review (1999)