One- and two-photon absorptions in open-shell singlet systems

M. Nakano, K. Yoneda, R. Kishi, H. Takahashi, T. Kubo, K. Kamada, K. Ohta, B. Champagne, E. Botek

Research output: Contribution to journalArticle

Abstract

One- and two-photon absorption cross sections of symmetric open-shell singlet molecular systems are investigated using a valence configuration interaction scheme. It is found for one-photon absorption (OPA) that the peak intensity decreases and the peak position moves to the low energy region as increasing the diradical character of the system. In contrast, a significant enhancement of two-photon absorption (TPA) peak is predicted for open-shell singlet systems with intermediate diradical character as compared to the closed-shell and pure diradical systems. It is revealed that the largest TPA peak intensities occur for open-shell singlet diradicals having a ferromagnetically-coupled ground state and strongly depends on the ratio between damping factors of the excited states.
Original languageEnglish
Pages (from-to)136-143
Number of pages7
JournalAIP Conference Proceedings
Volume1504
DOIs
Publication statusPublished - 1 Jan 2012

Fingerprint

photons
absorption cross sections
configuration interaction
damping
valence
ground state
augmentation
excitation
energy

Cite this

Nakano, M., Yoneda, K., Kishi, R., Takahashi, H., Kubo, T., Kamada, K., ... Botek, E. (2012). One- and two-photon absorptions in open-shell singlet systems. AIP Conference Proceedings, 1504, 136-143. https://doi.org/10.1063/1.4771708
Nakano, M. ; Yoneda, K. ; Kishi, R. ; Takahashi, H. ; Kubo, T. ; Kamada, K. ; Ohta, K. ; Champagne, B. ; Botek, E. / One- and two-photon absorptions in open-shell singlet systems. In: AIP Conference Proceedings. 2012 ; Vol. 1504. pp. 136-143.
@article{173312621e7a41a899ccfd12ef0dbd23,
title = "One- and two-photon absorptions in open-shell singlet systems",
abstract = "One- and two-photon absorption cross sections of symmetric open-shell singlet molecular systems are investigated using a valence configuration interaction scheme. It is found for one-photon absorption (OPA) that the peak intensity decreases and the peak position moves to the low energy region as increasing the diradical character of the system. In contrast, a significant enhancement of two-photon absorption (TPA) peak is predicted for open-shell singlet systems with intermediate diradical character as compared to the closed-shell and pure diradical systems. It is revealed that the largest TPA peak intensities occur for open-shell singlet diradicals having a ferromagnetically-coupled ground state and strongly depends on the ratio between damping factors of the excited states.",
author = "M. Nakano and K. Yoneda and R. Kishi and H. Takahashi and T. Kubo and K. Kamada and K. Ohta and B. Champagne and E. Botek",
year = "2012",
month = "1",
day = "1",
doi = "10.1063/1.4771708",
language = "English",
volume = "1504",
pages = "136--143",
journal = "AIP Conference Proceedings",
issn = "0094-243X",
publisher = "American Institute of Physics Publising LLC",

}

Nakano, M, Yoneda, K, Kishi, R, Takahashi, H, Kubo, T, Kamada, K, Ohta, K, Champagne, B & Botek, E 2012, 'One- and two-photon absorptions in open-shell singlet systems', AIP Conference Proceedings, vol. 1504, pp. 136-143. https://doi.org/10.1063/1.4771708

One- and two-photon absorptions in open-shell singlet systems. / Nakano, M.; Yoneda, K.; Kishi, R.; Takahashi, H.; Kubo, T.; Kamada, K.; Ohta, K.; Champagne, B.; Botek, E.

In: AIP Conference Proceedings, Vol. 1504, 01.01.2012, p. 136-143.

Research output: Contribution to journalArticle

TY - JOUR

T1 - One- and two-photon absorptions in open-shell singlet systems

AU - Nakano, M.

AU - Yoneda, K.

AU - Kishi, R.

AU - Takahashi, H.

AU - Kubo, T.

AU - Kamada, K.

AU - Ohta, K.

AU - Champagne, B.

AU - Botek, E.

PY - 2012/1/1

Y1 - 2012/1/1

N2 - One- and two-photon absorption cross sections of symmetric open-shell singlet molecular systems are investigated using a valence configuration interaction scheme. It is found for one-photon absorption (OPA) that the peak intensity decreases and the peak position moves to the low energy region as increasing the diradical character of the system. In contrast, a significant enhancement of two-photon absorption (TPA) peak is predicted for open-shell singlet systems with intermediate diradical character as compared to the closed-shell and pure diradical systems. It is revealed that the largest TPA peak intensities occur for open-shell singlet diradicals having a ferromagnetically-coupled ground state and strongly depends on the ratio between damping factors of the excited states.

AB - One- and two-photon absorption cross sections of symmetric open-shell singlet molecular systems are investigated using a valence configuration interaction scheme. It is found for one-photon absorption (OPA) that the peak intensity decreases and the peak position moves to the low energy region as increasing the diradical character of the system. In contrast, a significant enhancement of two-photon absorption (TPA) peak is predicted for open-shell singlet systems with intermediate diradical character as compared to the closed-shell and pure diradical systems. It is revealed that the largest TPA peak intensities occur for open-shell singlet diradicals having a ferromagnetically-coupled ground state and strongly depends on the ratio between damping factors of the excited states.

UR - http://www.scopus.com/inward/record.url?scp=84873151955&partnerID=8YFLogxK

U2 - 10.1063/1.4771708

DO - 10.1063/1.4771708

M3 - Article

AN - SCOPUS:84873151955

VL - 1504

SP - 136

EP - 143

JO - AIP Conference Proceedings

JF - AIP Conference Proceedings

SN - 0094-243X

ER -

Nakano M, Yoneda K, Kishi R, Takahashi H, Kubo T, Kamada K et al. One- and two-photon absorptions in open-shell singlet systems. AIP Conference Proceedings. 2012 Jan 1;1504:136-143. https://doi.org/10.1063/1.4771708