Static Electric Field Effect on Third-Order Nonlinear Optical (NLO) Properties of Singlet Diradical Molecules: Toward the Realization of an Electric Field Induced Open-Shell NLO Switch

机译：单线时间分子三阶非线性光学（NLO）特性的静电场效应：朝向电场诱导开放式壳牌开关的实现

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We investigate the effects of a static electric field on the third-order nonlinear optical (NLO) properties – static second hyperpolarizabilities γ – of symmetric singlet diradical molecules using the valence configuration interaction scheme. It is found that the application of the field strongly (~ two – three order) enhances the component of γ along the axis joining the two radical sites of symmetric diradicals having intermediate diradical characters as compared to those of closed-shell and pure diradical molecules in absence of a field. These results are expected to open a new path to realize an electric field control NLO switch based on open-shell singlet molecular systems.

机译：我们使用价形配置相互作用方案研究了静电场对三阶非线性光学（NLO）性能 - 静态第二超积分γ-对称单态晶体分子的影响。结果发现，与闭合壳和纯Diradical分子相比，强烈地（〜两三个阶）沿着将具有中间的Diradicals的两个自由基位点的轴增强γ的组分。没有一个领域。这些结果预计将开启新的路径，以实现基于开壳单态分子系统的电场控制NLO开关。

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《International Conference of Computational Methods in Sciences and Engineering》|2015年||共4页
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Masayoshi Nakano; Takuya Minami; Hitoshi Fukui; Kyohei Yoneda; Yasuteru Shigeta; Beno?t Champagne; Edith Botek; Koji Ohta; Kenji Kamada; Takashi Kubo;
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中图分类 TP3-532;
关键词
open-shell; diradical; second hyperpolarizability; nonlinear optics; field control;

机译：开壳;Diradical;第二个超极化;非线性光学;现场控制;

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4. Static Electric Field Effect on Third-Order Nonlinear Optical (NLO) Properties of Singlet Diradical Molecules: Toward the Realization of an Electric Field Induced Open-Shell NLO Switch [C] . Masayoshi Nakano, Takuya Minami, Hitoshi Fukui, International Conference of Computational Methods in Sciences and Engineering . 2015

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5. Synthesis and characterization of polymers and interpenetrating polymer networks (IPNs) with nonlinear optical (NLO) properties and related numerical studies. [D] . Sharma, P. R. Srikanth. 1998

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Static Electric Field Effect on Third-Order Nonlinear Optical (NLO) Properties of Singlet Diradical Molecules: Toward the Realization of an Electric Field Induced Open-Shell NLO Switch

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