Electronically excited states and photodynamics: a continuing challenge

被引:0
作者
Felix Plasser
Mario Barbatti
Adélia J. A. Aquino
Hans Lischka
机构
[1] University of Vienna,Institute for Theoretical Chemistry
[2] Kaiser-Wilhelm-Platz 1,Max
[3] Texas Tech University,Planck
[4] University of Natural Resources and Applied Life Sciences Vienna,Institut für Kohlenforschung
来源
Theoretical Chemistry Accounts | 2012年 / 131卷
关键词
Electronic structure; Excited states; Photodynamics; Nonadiabatic phenomena;
D O I
暂无
中图分类号
学科分类号
摘要
The purpose of this contribution is the description of the progress in theoretical investigations on electronically excited states in connection with photodynamical simulations made within the last years and to provide an outlook on the scope of future applications and challenges. An overview over excited-state phenomenology is given and the applicability of different computational methods is discussed. Both electronic structure- and dynamics methods are considered. The examples presented comprise the explanation of the photostability of individual DNA nucleobases, the photodynamics of DNA including excitonic and charge-transfer processes, the primary processes of vision and the broad field of photovoltaics, photodevices, and molecular machines.
引用
收藏
相关论文
共 50 条
  • [41] Ab initio configuration interaction study on electronically excited 4-dimethylamino-4′-cyanostilbene
    Amatatsu, Y
    THEORETICAL CHEMISTRY ACCOUNTS, 2000, 103 (06) : 445 - 450
  • [42] Confined two-electron systems: excited singlet and triplet S states
    H. E. Montgomery
    Vladimir I. Pupyshev
    Theoretical Chemistry Accounts, 2015, 134
  • [43] Confined two-electron systems: excited singlet and triplet S states
    Montgomery, H. E., Jr.
    Pupyshev, Vladimir I.
    THEORETICAL CHEMISTRY ACCOUNTS, 2014, 134 (01)
  • [44] Hydrogen bonding and coordination bonding in the electronically excited states of Cu2(L)2 (L=5-(4-pyridyl)tetrazole)MeOH: A TDDFT study
    Meng, Yanfang
    Zhang, Chunqing
    Ji, Min
    Hao, Ce
    Qiu, Jieshan
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2013, 109 : 14 - 22
  • [45] Deflation Techniques in Quantum Chemistry: Excited States from Ground States
    Alain Miranda-Quintana, Ramon
    Martinez Gonzalez, Marco
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2013, 113 (22) : 2478 - 2488
  • [46] Excited states of the C-60 dimer
    Surjan, PR
    Udvardi, L
    Nemeth, K
    SYNTHETIC METALS, 1996, 77 (1-3) : 107 - 110
  • [47] Atomic excited states and the related energy levels
    Dariush Habibollah Zadeh
    Journal of Molecular Modeling, 2022, 28
  • [48] Halo in the excited states for N=41 isotones
    Yu, Miao
    Zhang, Peng-Fei
    Ruan, Tu-Nan
    Guo, Jian-You
    MODERN PHYSICS LETTERS A, 2006, 21 (36) : 2751 - 2761
  • [49] Gain of excited states in the quantum-dots
    Al-Khursan, Amin H.
    PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2006, 35 (01) : 6 - 8
  • [50] Exotic Bonding Regimes Uncovered in Excited States
    Luis Casals-Sainz, Jose
    Jara-Cortes, Jesus
    Hernandez-Trujillo, Jesus
    Manuel Guevara-Vela, Jose
    Francisco, Evelio
    Martin Pendas, Angel
    CHEMISTRY-A EUROPEAN JOURNAL, 2019, 25 (52) : 12169 - 12179