Excited-state absorption from real-time, time-dependent density functional theory

被引：0
|
作者：
Govind, Niranjan [1 ]
Fischer, Sean
Cramer, Christopher [2 ]
机构：
[1] Pacific Northwest Natl Lab, Richland, WA USA
[2] Univ Minnesota, Dept Chem, 207 Pleasant St SE, Minneapolis, MN 55455 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2016年 / 251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：
638
引用
收藏
页数：1
相关论文
共 50 条
  • [1] 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
  • [2] Excited-State Absorption from Real-Time Time-Dependent Density Functional Theory: Optical Limiting in Zinc Phthalocyanine
    Fischer, Sean A.
    Cramer, Christopher J.
    Govind, Niranjan
    [J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2016, 7 (07): : 1387 - 1391
  • [3] 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
  • [4] Excited-state absorption in tetrapyridyl porphyrins: comparing real-time and quadratic-response time-dependent density functional theory
    Bowman, David N.
    Asher, Jason C.
    Fischer, Sean A.
    Cramer, Christopher J.
    Govind, Niranjan
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 19 (40) : 27452 - 27462
  • [5] Photo-induced degradation of PFASs: Excited-state mechanisms from real-time time-dependent density functional theory
    Yamijala, Sharma S. R. K. C.
    Shinde, Ravindra
    Hanasaki, Kota
    Ali, Zulfikhar A.
    Wong, Bryan M.
    [J]. JOURNAL OF HAZARDOUS MATERIALS, 2022, 423
  • [6] Excited state absorption from real-time time-dependent density functional theory simulations: Predicting molecular optical response by excited state density propagation
    Bowman, David
    Asher, Jason
    Fischer, Sean
    Govind, Niranjan
    Cramer, Christopher
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
  • [7] 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
  • [8] Combining linear-response and real-time time-dependent density functional theory for the simulation of excited state absorption
    Fischer, Sean
    Cramer, Christopher
    Govind, Niri
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 250
  • [9] Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials
    Miyamoto, Yoshiyuki
    Rubio, Angel
    [J]. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2018, 87 (04)
  • [10] Excited-state absorption for zinc phthalocyanine from linear-response time-dependent density functional theory
    Wang, Chunrui
    Shao, Junfeng
    Chen, Fei
    Sheng, Xiaowei
    [J]. RSC ADVANCES, 2020, 10 (47) : 28066 - 28074
12345