Photochemistry and excited state dynamics with time-dependent density functional theory

被引：0
|
作者：
Martinez, TJ
机构：
[1] Univ Illinois, Dept Chem, Urbana, IL 61801 USA
[2] Univ Illinois, Beckman Inst, Urbana, IL 61801 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2003年 / 225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：
038-COMP
引用
收藏
页码：U707 / U707
页数：1
相关论文
共 50 条
  • [1] The calculations of excited-state properties with Time-Dependent Density Functional Theory
    Adamo, Carlo
    Jacquemin, Denis
    [J]. CHEMICAL SOCIETY REVIEWS, 2013, 42 (03) : 845 - 856
  • [2] Excited State Relaxation Dynamics of Silicon Nanosheets using Time-dependent Density Functional Tight Binding Theory
    Wang, M. Y.
    Wu, Q.
    [J]. 2019 7TH INTERNATIONAL CONFERENCE ON MECHANICAL ENGINEERING, MATERIALS SCIENCE AND CIVIL ENGINEERING, 2020, 758
  • [3] Molecular dynamics in electronically excited states using time-dependent density functional theory
    Tavernelli, I
    Röhrig, UF
    Rothlisberger, U
    [J]. MOLECULAR PHYSICS, 2005, 103 (6-8) : 963 - 981
  • [4] Excited State Absorption from Real-Time Time-Dependent Density Functional Theory
    Fischer, Sean A.
    Cramer, Christopher J.
    Govind, Niranjan
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015, 11 (09) : 4294 - 4303
  • [5] Excited States from Time-Dependent Density Functional Theory
    Elliott, Peter
    Furche, Filipp
    Burke, Kieron
    [J]. REVIEWS IN COMPUTATIONAL CHEMISTRY, VOL 26, 2009, 26 : 91 - 165
  • [6] Excited-State Absorption by Linear Response Time-Dependent Density Functional Theory
    Sheng, Xiaowei
    Zhu, Hongjuan
    Yin, Kai
    Chen, Jichao
    Wang, Jian
    Wang, Chunrui
    Shao, Junfeng
    Chen, Fei
    [J]. JOURNAL OF PHYSICAL CHEMISTRY C, 2020, 124 (08): : 4693 - 4700
  • [7] PAIRING DYNAMICS AND TIME-DEPENDENT DENSITY FUNCTIONAL THEORY
    Magierski, P.
    Grineviciute, J.
    Sekizawa, K.
    [J]. ACTA PHYSICA POLONICA B, 2018, 49 (03): : 281 - 291
  • [8] Time-Dependent Density Functional Theory Study on Excited-State Hydrogen Bonding Dynamics of Acetic Acid Hydrates
    Mingxian Ma
    Dapeng Yang
    [J]. Journal of Cluster Science, 2012, 23 : 155 - 164
  • [9] Time-Dependent Density Functional Theory Study on Excited-State Hydrogen Bonding Dynamics of Acetic Acid Hydrates
    Ma, Mingxian
    Yang, Dapeng
    [J]. JOURNAL OF CLUSTER SCIENCE, 2012, 23 (01) : 155 - 164
  • [10] Excited-state absorption from real-time, time-dependent density functional theory
    Govind, Niranjan
    Fischer, Sean
    Cramer, Christopher
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
12345