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

Manabu Kanno; Ito Yuta; Noriyuki Shimakura; Shiro Koseki; Hirohiko Kono; Yuichi Fujimura

doi:10.1007/978-3-319-13242-6_42

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

Manabu Kanno, Ito Yuta, Noriyuki Shimakura, Shiro Koseki, Hirohiko Kono, Yuichi Fujimura

Department of Applied Chemistry

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Abstract

We theoretically verified the participation of optically dark n pi* states other than S-1 in ultrafast internal conversion of pyrazine. Contrary to a recent semiclassical study, our quantum dynamical calculations demonstrated that their contributions are negligible.

Original language	English
Title of host publication	19th International Conference on Ultrafast Phenomena
Publisher	Springer-Verlag Berlin Heidelberg
Pages	176-179
Number of pages	4
Volume	162
DOIs	https://doi.org/10.1007/978-3-319-13242-6_42
State	Published - 2015

Keywords

CONICAL INTERSECTION

Access to Document

10.1007/978-3-319-13242-6_42

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title = "Ab Initio Quantum Dynamical Study on Ultrafast Nonradiative Transition Pathways of Pyrazine",

abstract = "We theoretically verified the participation of optically dark n pi* states other than S-1 in ultrafast internal conversion of pyrazine. Contrary to a recent semiclassical study, our quantum dynamical calculations demonstrated that their contributions are negligible.",

keywords = "CONICAL INTERSECTION",

author = "Manabu Kanno and Ito Yuta and Noriyuki Shimakura and Shiro Koseki and Hirohiko Kono and Yuichi Fujimura",

year = "2015",

doi = "10.1007/978-3-319-13242-6_42",

language = "English",

volume = "162",

pages = "176--179",

booktitle = "19th International Conference on Ultrafast Phenomena",

publisher = "Springer-Verlag Berlin Heidelberg",

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Ab Initio Quantum Dynamical Study on Ultrafast Nonradiative Transition Pathways of Pyrazine. / Kanno, Manabu; Yuta, Ito; Shimakura, Noriyuki; Koseki, Shiro; Kono, Hirohiko; Fujimura, Yuichi.

19th International Conference on Ultrafast Phenomena. Vol. 162 Springer-Verlag Berlin Heidelberg, 2015. p. 176-179.

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - Ab Initio Quantum Dynamical Study on Ultrafast Nonradiative Transition Pathways of Pyrazine

AU - Kanno, Manabu

AU - Yuta, Ito

AU - Shimakura, Noriyuki

AU - Koseki, Shiro

AU - Kono, Hirohiko

AU - Fujimura, Yuichi

PY - 2015

Y1 - 2015

N2 - We theoretically verified the participation of optically dark n pi* states other than S-1 in ultrafast internal conversion of pyrazine. Contrary to a recent semiclassical study, our quantum dynamical calculations demonstrated that their contributions are negligible.

AB - We theoretically verified the participation of optically dark n pi* states other than S-1 in ultrafast internal conversion of pyrazine. Contrary to a recent semiclassical study, our quantum dynamical calculations demonstrated that their contributions are negligible.

KW - CONICAL INTERSECTION

U2 - 10.1007/978-3-319-13242-6_42

DO - 10.1007/978-3-319-13242-6_42

M3 - Conference contribution

VL - 162

SP - 176

EP - 179

BT - 19th International Conference on Ultrafast Phenomena

PB - Springer-Verlag Berlin Heidelberg

ER -