Titlebook: Excitation Energies and Properties of Open-Shell Singlet Molecules; Applications to a Ne Masayoshi Nakano Book 2014 The Author(s) 2014 Corr

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Book 2014 excited electronic structures of symmetric and asymmetric open-shell molecular systems by using model molecular systems. Moreover, it presents the theoretical design guidelines for a new class of open-shell singlet molecular systems for nonlinear optics (NLO) and singlet fission.

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https://doi.org/10.1007/978-3-322-83386-0he ground- and excited states as well as for the excitation energies and transition properties based on symmetric two-site diradical models with different diradical characters using the valence configuration interaction method.

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