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

Masayoshi Nakano, Kyohei Yoneda, Ryohei Kishi, Hideaki Takahashi, Takashi Kubo, Kenji Kamada, Koji Ohta, Benoît Champagne, Edith Botek

Research output: Chapter in Book/Report/Conference proceedingConference contribution

7 Citations (Scopus)

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
Title of host publicationInternational Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009
Pages136-142
Number of pages7
DOIs
Publication statusPublished - 2012 Dec 1
Externally publishedYes
EventInternational Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009 - Rhodes, Greece
Duration: 2009 Sep 292009 Oct 4

Publication series

NameAIP Conference Proceedings
Volume1504
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Other

OtherInternational Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009
CountryGreece
CityRhodes
Period09/9/2909/10/4

Keywords

  • hyperpolarizability
  • nonlinear optics
  • one and two photon absorption
  • open-shell
  • radical
  • spin

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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  • Cite this

    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. In International Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009 (pp. 136-142). (AIP Conference Proceedings; Vol. 1504). https://doi.org/10.1063/1.4771708