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Author

Misa Nozaki

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Sep 2026

Natural transition orbital in the fragment molecular orbital method with application to characterizing exciton states.

Characterization and visualization of electronically excited states are essential for understanding photophysical and photochemical processes in condensed molecular systems. Here, we present a procedure to reconstruct the total transition density matrix (TDM) using the fragment molecular orbital (FMO) method. The appli...

Takatoshi Fujita, Misa Nozaki · 0 citations

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