期刊文献+
共找到2篇文章
< 1 >
每页显示 20 50 100
有机分子聚集体中振动分辨光谱的激子耦合效应(英文) 被引量:1
1
作者 李文强 彭谦 +2 位作者 谢育俊 张天 帅志刚 《化学学报》 SCIE CAS CSCD 北大核心 2016年第11期902-909,共8页
光谱是探究分子间相互作用及发光机理的有效手段.本工作采用Frenkel激子模型和量子力学/分子力学(QM/MM)方法系统研究了一系列聚集诱导发光(AIE)体系和传统荧光(非AIE)体系晶态下的吸收、发射光谱.结果表明,分子内电声子耦合(λ)与分子... 光谱是探究分子间相互作用及发光机理的有效手段.本工作采用Frenkel激子模型和量子力学/分子力学(QM/MM)方法系统研究了一系列聚集诱导发光(AIE)体系和传统荧光(非AIE)体系晶态下的吸收、发射光谱.结果表明,分子内电声子耦合(λ)与分子间激子耦合(J)竞争决定了晶态聚集体的光谱特性.在室温下,当J/λ值大于约0.17时,有机分子聚集体光谱的激子耦合效应将表现明显.例如,对于面对面排列的H聚集体,只有考虑激子耦合效应的理论计算光谱才与其实验光谱吻合很好,即相较于单分子光谱的吸收蓝移、发射减弱并红移.对于AIE体系,因为其J/λ值均小于0.17,AIE聚集体光谱特征主要是由分子内电声子耦合所主导,激子耦合可以忽略不计. 展开更多
关键词 有机分子聚集体 Frenkel激子模型 电声子耦合 激子耦合效应 QM/MM方法
原文传递
Rotating deformed halo nuclei and shape decoupling effects 被引量:3
2
作者 Xiang-Xiang Sun Shan-Gui Zhou 《Science Bulletin》 SCIE EI CSCD 2021年第20期2072-2078,M0003,共8页
To explore the rotational excitation of deformed halo nuclei,the angular momentum projection(AMP)has been implemented in the deformed relativistic Hartree-Bogoliubov theory in continuum(DRHBc),in which both the mean f... To explore the rotational excitation of deformed halo nuclei,the angular momentum projection(AMP)has been implemented in the deformed relativistic Hartree-Bogoliubov theory in continuum(DRHBc),in which both the mean field and collective wave functions are expanded in terms of Dirac WoodsSaxon basis.The DRHBc+AMP approach self-consistently describes the coupling between single particle bound states and the continuum not only in the ground state but also in rotational states.The rotational modes of deformed halos in ^(42,44)Mg are investigated by studying properties of rotational states such as the excitation energy,configuration,and density distribution.Our study demonstrates that the deformed halo structure persists from the ground state in the intrinsic frame to collective states.Especially,the typical behavior of shape decoupling effects in rotating deformed halo nuclei is revealed. 展开更多
关键词 Density functional theory Beyond mean field method Rotational excitation Deformed halo nuclei Shape decoupling effects
原文传递
上一页 1 下一页 到第
使用帮助 返回顶部