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Yuki Kurashige

4 results in Authors: Yuki Kurashige

Theoretical and Computational Chemistry

Encoding a Many-body Potential Energy Surface into a Grid-Based Matrix Product Operator

Kentaro Hino, Yuki Kurashige

Version 3 posted 10 January 2024

401

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Theoretical and Computational Chemistry

Molecular mechanism of the triplet states formation in bodipy-phenoxazine photosensitizer dyads confirmed by ab initio prediction of the spin polarization

Maria Kosaka, Katsuki Miyokawa, Yuki Kurashige

Version 1 posted 22 August 2024

243

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Theoretical and Computational Chemistry

Zero-field splitting tensor of the triplet excited states of aromatic molecules: A valence full-π complete active space self-consistent field study

Katsuki Miyokawa, Yuki Kurashige

Version 2 posted 06 December 2023

311

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Materials Chemistry

Polarizing agents beyond pentacene for efficient triplet dynamic nuclear polarization in glass matrices

Keita Sakamoto, Tomoyuki Hamachi, Katsuki Miyokawa, Kenichiro Tateishi, Tomohiro Uesaka, Yuki Kurashige, Nobuhiro Yanai

Version 1 posted 23 March 2023

529

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