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
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
  • [11] Electronically excited states of PANH anions
    Theis, Mallory L.
    Candian, Alessandra
    Tielens, Alexander G. G. M.
    Lee, Timothy J.
    Fortenberry, Ryan C.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 17 (22) : 14761 - 14772
  • [12] Nature of Electronically Excited States of Furocoumarins
    Bocharnikova, E. N.
    Tchaikovskaya, O. N.
    Artyukhov, V. Ya.
    Dmitrieva, N. G.
    RUSSIAN PHYSICS JOURNAL, 2019, 61 (11) : 2033 - 2041
  • [13] Theoretical Studies of Electronically Excited States
    Besley, Nicholas A.
    INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2014 (ICCMSE 2014), 2014, 1618 : 576 - 584
  • [14] Electronically Excited States of Free Radicals
    Khudyakov, Igor V.
    PHYSCHEM, 2023, 3 (03): : 332 - 341
  • [15] The molecular properties of electronically excited states
    Smith, Christopher E.
    Crawford, T. Daniel
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 231
  • [16] Electronically excited states of interstellar anions
    Fortenberry, Ryan C.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 247
  • [17] ELECTRONICALLY EXCITED AND IONIZED STATES OF THE CHLORINE MOLECULE
    PEYERIMHOFF, SD
    BUENKER, RJ
    CHEMICAL PHYSICS, 1981, 57 (03) : 279 - 296
  • [18] THERMAL GENERATION OF ELECTRONICALLY EXCITED-STATES
    ADAM, W
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1979, (SEP): : 29 - 29
  • [19] ELECTRONICALLY-EXCITED STATES OF PHENOXY RADICALS
    KUZMIN, VA
    KHUDJAKOV, IV
    TATIKOLOV, AS
    CHEMICAL PHYSICS LETTERS, 1977, 49 (03) : 495 - 497
  • [20] HYDROGEN BONDING IN ELECTRONICALLY EXCITED STATES OF MOLECULES
    RAO, CNR
    MURTHY, ASN
    THEORETICA CHIMICA ACTA, 1971, 22 (04): : 392 - &