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Transition Dipole, Charge Transfer, and Electron-hole Coherence in Two-photon Absorption： Visualizations with Two Dimensional Site and Three Dimensional Cube Representations
  • ISSN号：1674-0068
  • 期刊名称：《化学物理学报》
  • 时间：0
  • 分类：O64[理学—物理化学;理学—化学]
  • 作者机构：[1]School of Physics and Optoelectronic Technology, and College of Advanced Science and Technology, Dalian University of Technology, Dalian 116024, China, [2]Department of Physics, Liaoning University, Shenyang 110036, China
  • 相关基金：This work was supported by the National Natural Science Foundation of China （No.10874234, No.20703064, and No.10604012）. Authors thank Prof. Chuan-kui Wang for his valuable suggestions.
作者： Yuan-zuo Li[1], Wen-qin Zhang[1], Xiao-hong Zhao[1], Feng-cai Ma[2], Mao-du Chen[1]
关键词： 维和三维实空间分析, 电荷转移, 跃迁距, 双光子吸收, 2D site and 3D cube representations, Charge transfer, Transition dipole,Two-photon absorption
中文摘要：

发达可视化方法二维(2D ) 地点并且三维(3D ) 立方体代表被执行了在二光子的吸收(TPA ) 显示出转变偶极子，充电转移，和电子洞连贯的取向。转变密度的 3D 立方体代表能视觉上揭示转变偶极子时刻的取向和力量，并且控告不同密度表演在 TPA 的费用转移的取向。2D 地点表示能视觉上在 TPA 揭示电子洞连贯。代表们提供的地点和 3D 立方体清楚地为 TPA 检查进费用转移过程和激动的分子的片断的贡献的 2D 的联合。

英文摘要：

The developed visualization methods of two dimensional （2D） site and three dimensional （3D） cube representations have been performed to show the orientation of transition dipole, charge transfer, and electron-hole coherence in two-photon absorption （TPA）. The 3D cube representations of transition density can reveal visually the orientation and strength of transition dipole moment, and charge different density show the orientation of charge transfer in TPA. The 2D site representation can reveal visually the electron-hole coherence in TPA. The combination of 2D site and 3D cube representations provide clearly inspect into the charge transfer process and the contribution of excited molecular segments for TPA.

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期刊信息
  • 《化学物理学报》
  • 中国科技核心期刊
  • 主管单位:中国科协
  • 主办单位:中国物理学会
  • 主编：杨学明
  • 地址：合肥中国科学技术大学
  • 邮编：230026
  • 邮箱：cjcp@ustc.edu.cn
  • 电话：0551-3601122
  • 国际标准刊号：ISSN：1674-0068
  • 国内统一刊号：ISSN：34-1295/O6
  • 邮发代号:26-62
  • 获奖情况:
  • 1998年获安徽省优秀科技期刊一等奖
  • 国内外数据库收录:
  • 俄罗斯文摘杂志,美国化学文摘（网络版）,荷兰文摘与引文数据库,美国科学引文索引（扩展库）,英国科学文摘数据库,日本日本科学技术振兴机构数据库,中国中国科技核心期刊,中国北大核心期刊（2004版）,英国英国皇家化学学会文摘,中国北大核心期刊（2000版）
  • 被引量:4282