Abstract
| Original language | English |
|---|---|
| Pages (from-to) | 136-143 |
| Number of pages | 7 |
| Journal | AIP Conference Proceedings |
| Volume | 1504 |
| DOIs | |
| Publication status | Published - 1 Jan 2012 |
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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 journal › Article
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 -