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Ab Initio Quantum Dynamical Study on Ultrafast Nonradiative Transition Pathways of Pyrazine

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Abstract

We theoretically verified the participation of optically dark nπ* states other than S1 in ultrafast internal conversion of pyrazine. Contrary to a recent semiclassical study, our quantum dynamical calculations demonstrated that their contributions are negligible.

© 2014 Optical Society of America

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