Prediction of two photon absorption properties for large organic molecules using time-dependent density functional theory.

被引：0
|
作者：
Masunov, A [1 ]
Tretiak, S [1 ]
机构：
[1] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2003年 / 226卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
405-POLY
引用
收藏
页码：U416 / U416
页数：1
相关论文
共 50 条
  • [41] Toward electron-molecule scattering from time-dependent density functional theory.
    Wasserman, A
    Maitra, N
    Burke, K
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 228 : U201 - U201
  • [42] Photoionization of atoms using time-dependent density functional theory
    Véniard, V
    Taïeb, R
    Maquet, A
    LASER PHYSICS, 2003, 13 (04) : 465 - 474
  • [43] Time-dependent current-density-functional theory applied to atoms and molecules
    Van Faassen, M.
    INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2006, 20 (24): : 3419 - 3463
  • [44] Ion Collisions with Water Molecules: A Time-Dependent Density Functional Theory Approach
    Kirchner, Tom
    Murakami, Mitsuko
    Horbatsch, Marko
    Luedde, Hans Juergen
    THEORY OF HEAVY ION COLLISION PHYSICS IN HADRON THERAPY, 2013, 65 : 315 - 337
  • [45] Predicting Phosphorescence Rates of Light Organic Molecules Using Time-Dependent Density Functional Theory and the Path Integral Approach to Dynamics
    de Souza, Bernardo
    Farias, Giliandro
    Neese, Frank
    Izsak, Robert
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019, 15 (03) : 1896 - 1904
  • [46] Chiroptical properties of artemisinin and artemether investigated using time-dependent density functional theory
    Li Li
    Bei-Bei Yang
    Yi-Kang Si
    Chinese Chemical Letters, 2014, 25 (12) : 1586 - 1590
  • [47] Chiroptical properties of artemisinin and artemether investigated using time-dependent density functional theory
    Li, Li
    Yang, Bei-Bei
    Si, Yi-Kang
    CHINESE CHEMICAL LETTERS, 2014, 25 (12) : 1586 - 1590
  • [48] Failure of density-functional theory and time-dependent density-functional theory for large extended π systems
    Cai, ZL
    Sendt, K
    Reimers, JR
    JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (12): : 5543 - 5549
  • [49] Density functional theory/time-dependent density functional theory investigations on the color-structure relationship of biopigment molecules
    Huang, Jing
    Yang, Lei
    Zhou, Yikun
    Chen, Yanjiao
    Liu, Qimin
    Wu, Wangcheng
    JOURNAL OF CHEMICAL RESEARCH, 2024, 48 (01)
  • [50] The polarisability of atoms and molecules: a comparison between a conceptual density functional theory approach and time-dependent density functional theory
    Boisdenghien, Zino
    Fias, Stijn
    Da Pieve, Fabiana
    De Proft, Frank
    Geerlings, Paul
    MOLECULAR PHYSICS, 2015, 113 (13-14) : 1890 - 1898
12345