Modeling conical intersections in adiabatic potentials and their role in surface hopping dynamics

被引：0
|
作者：
Galvao, Breno [1 ]
机构：
[1] Ctr Fed Educ Tecnol Minas Gerais, CEFET MG, Dept Quim, Belo Horizonte, MG, Brazil
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2018年 / 256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：
71
引用
收藏
页数：1
相关论文
共 50 条
  • [21] Controllability of the Schrodinger equation via adiabatic methods and conical intersections of the eigenvalues
    Chittaro, Francesca Carlotta
    Mason, Paolo
    Boscain, Ugo
    Sigalotti, Mario
    2012 IEEE 51ST ANNUAL CONFERENCE ON DECISION AND CONTROL (CDC), 2012, : 3044 - 3049
  • [22] Intermediate photofragment distributions as probes of non-adiabatic dynamics at conical intersections: application to the Hartley band of ozone
    Picconi, David
    Grebenshchikov, Sergy Yu.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 17 (43) : 28931 - 28942
  • [23] Correlated three-dimensional electron-nuclear motion: Adiabatic dynamics vs passage of conical intersections
    Schaupp, Thomas
    Engel, Volker
    JOURNAL OF CHEMICAL PHYSICS, 2022, 156 (07):
  • [24] Nuclear dynamics near conical intersections in the adiabatic representation: I. The effects of local topography on interstate transitions
    Yarkony, DR
    JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (06): : 2601 - 2613
  • [25] Substituent Effects on Dynamics at Conical Intersections: Cycloheptatrienes
    Schalk, Oliver
    Boguslavskiy, Andrei E.
    Schuurman, Michael S.
    Brogaard, Rasmus Y.
    Unterreiner, Andreas N.
    Wrona-Piotrowicz, Anna
    Werstiuk, Nick H.
    Stolow, Albert
    JOURNAL OF PHYSICAL CHEMISTRY A, 2013, 117 (40): : 10239 - 10247
  • [26] Substituent effects on dynamics at conical intersections:: α,β-enones
    Lee, A. M. D.
    Coe, J. D.
    Ullrich, S.
    Ho, M. -L.
    Lee, S. -J.
    Cheng, B. -M.
    Zgierski, M. Z.
    Chen, I-C.
    Martinez, T. J.
    Stolow, Albert
    JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (47): : 11948 - 11960
  • [27] Reactive chemical dynamics through conical intersections
    S. Ghosal
    B. Jayachander Rao
    S. Mahapatra
    Journal of Chemical Sciences, 2007, 119 : 401 - 407
  • [28] Substituent Effects on Dynamics at Conical Intersections: Cyclopentadienes
    Schalk, Oliver
    Boguslavskiy, Andrey E.
    Stolow, Albert
    JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114 (12): : 4058 - 4064
  • [29] Reactive chemical dynamics through conical intersections
    Ghosal, S.
    Rao, B. Jayachander
    Mahapatra, S.
    JOURNAL OF CHEMICAL SCIENCES, 2007, 119 (05) : 401 - 407
  • [30] Efficient and accurate surface hopping for long time non-adiabatic quantum dynamics
    Kelly, Aaron T.
    Markland, Thomas E.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 246
12345