@inproceedings{14b871eb0b0e4915b3e2f72983b4bd14,
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.",
keywords = "hyperpolarizability, nonlinear optics, one and two photon absorption, open-shell, radical, spin",
author = "Masayoshi Nakano and Kyohei Yoneda and Ryohei Kishi and Hideaki Takahashi and Takashi Kubo and Kenji Kamada and Koji Ohta and Beno{\^i}t Champagne and Edith Botek",
year = "2012",
doi = "10.1063/1.4771708",
language = "English",
isbn = "9780735411227",
series = "AIP Conference Proceedings",
pages = "136--142",
booktitle = "International Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009",
note = "International Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009 ; Conference date: 29-09-2009 Through 04-10-2009",
}