Ab initio quantum dynamical study on ultrafast nonradiative transition pathways of pyrazine

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

SCI - Chemistry

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

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.

Original language	English
Title of host publication	Ultrafast Phenomena XIX - Proceedings of the 19th International Conference
Editors	Louis DiMauro, Regina de Vivie-Riedle, Kaoru Yamanouchi, Makoto Kuwata-Gonokami, Steven Cundiff
Publisher	Springer Science and Business Media, LLC
Pages	176-179
Number of pages	4
ISBN (Electronic)	9783319132419
DOIs	https://doi.org/10.1007/978-3-319-13242-6_42
Publication status	Published - 2015
Event	19th International Conference on Ultrafast Phenomena, 2014 - Okinawa, Japan Duration: 2014 Jul 7 → 2014 Jul 11

Publication series

Name	Springer Proceedings in Physics
Volume	162
ISSN (Print)	0930-8989
ISSN (Electronic)	1867-4941

Other

Other	19th International Conference on Ultrafast Phenomena, 2014
Country/Territory	Japan
City	Okinawa
Period	14/7/7 → 14/7/11

ASJC Scopus subject areas

Physics and Astronomy(all)

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

Cite this

Kanno, M., Ito, Y., Shimakura, N., Koseki, S., Kono, H., Fujimura, Y., & Fujimura, Y. (2015). Ab initio quantum dynamical study on ultrafast nonradiative transition pathways of pyrazine. In L. DiMauro, R. de Vivie-Riedle, K. Yamanouchi, M. Kuwata-Gonokami, & S. Cundiff (Eds.), Ultrafast Phenomena XIX - Proceedings of the 19th International Conference (pp. 176-179). (Springer Proceedings in Physics; Vol. 162). Springer Science and Business Media, LLC. https://doi.org/10.1007/978-3-319-13242-6_42

Ab initio quantum dynamical study on ultrafast nonradiative transition pathways of pyrazine. / Kanno, Manabu; Ito, Yuta; Shimakura, Noriyuki; Koseki, Shiro; Kono, Hirohiko; Fujimura, Yuichi; Fujimura, Yuichi.

Ultrafast Phenomena XIX - Proceedings of the 19th International Conference. ed. / Louis DiMauro; Regina de Vivie-Riedle; Kaoru Yamanouchi; Makoto Kuwata-Gonokami; Steven Cundiff. Springer Science and Business Media, LLC, 2015. p. 176-179 (Springer Proceedings in Physics; Vol. 162).

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

Kanno, M, Ito, Y, Shimakura, N, Koseki, S, Kono, H, Fujimura, Y & Fujimura, Y 2015, Ab initio quantum dynamical study on ultrafast nonradiative transition pathways of pyrazine. in L DiMauro, R de Vivie-Riedle, K Yamanouchi, M Kuwata-Gonokami & S Cundiff (eds), Ultrafast Phenomena XIX - Proceedings of the 19th International Conference. Springer Proceedings in Physics, vol. 162, Springer Science and Business Media, LLC, pp. 176-179, 19th International Conference on Ultrafast Phenomena, 2014, Okinawa, Japan, 14/7/7. https://doi.org/10.1007/978-3-319-13242-6_42

Kanno M, Ito Y, Shimakura N, Koseki S, Kono H, Fujimura Y et al. Ab initio quantum dynamical study on ultrafast nonradiative transition pathways of pyrazine. In DiMauro L, de Vivie-Riedle R, Yamanouchi K, Kuwata-Gonokami M, Cundiff S, editors, Ultrafast Phenomena XIX - Proceedings of the 19th International Conference. Springer Science and Business Media, LLC. 2015. p. 176-179. (Springer Proceedings in Physics). https://doi.org/10.1007/978-3-319-13242-6_42

Kanno, Manabu ; Ito, Yuta ; Shimakura, Noriyuki ; Koseki, Shiro ; Kono, Hirohiko ; Fujimura, Yuichi ; Fujimura, Yuichi. / Ab initio quantum dynamical study on ultrafast nonradiative transition pathways of pyrazine. Ultrafast Phenomena XIX - Proceedings of the 19th International Conference. editor / Louis DiMauro ; Regina de Vivie-Riedle ; Kaoru Yamanouchi ; Makoto Kuwata-Gonokami ; Steven Cundiff. Springer Science and Business Media, LLC, 2015. pp. 176-179 (Springer Proceedings in Physics).

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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.",

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

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AU - Fujimura, Yuichi

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Ab initio quantum dynamical study on ultrafast nonradiative transition pathways of pyrazine

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