Non-adiabatic molecular dynamics simulations

被引:0
|
作者
Parker, Shane [1 ]
Muuronen, Mikko [1 ]
Vincent, Jordan [1 ]
Roy, Saswata [1 ]
Krull, Brandon [1 ]
Yu, Jason [1 ]
Nguyen, Brian [1 ]
Furche, Filipp [1 ]
机构
[1] Univ Calif Irvine, Dept Chem, Irvine, CA 92717 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
599
引用
收藏
页数:1
相关论文
共 50 条
  • [1] Molecular-dynamics simulations of non-adiabatic processes at surfaces
    Van Heys, J
    Lindenblatt, M
    Pehlke, E
    [J]. PHASE TRANSITIONS, 2005, 78 (9-11) : 773 - 786
  • [2] Classical molecular dynamics simulations of electronically non-adiabatic processes
    Miller, William
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 258
  • [3] Non-adiabatic Matsubara dynamics and non-adiabatic ring-polymer molecular dynamics
    Chowdhury, Sutirtha N.
    Huo, Pengfei
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2021, 154 (12):
  • [4] Unravelling the details of vitamin D photosynthesis by non-adiabatic molecular dynamics simulations
    Tapavicza, Enrico
    Meyer, Alexander M.
    Furche, Filipp
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (47) : 20986 - 20998
  • [5] Ab initio non-adiabatic molecular dynamics
    Tapavicza, Enrico
    Bellchambers, Gregory D.
    Vincent, Jordan C.
    Furche, Filipp
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2013, 15 (42) : 18336 - 18348
  • [6] Non-adiabatic molecular dynamic simulations of opening reaction of molecular junctions
    Zobac, Vladmir
    Lewis, James P.
    Jelinek, Pavel
    [J]. NANOTECHNOLOGY, 2016, 27 (28)
  • [7] Excited-state non-adiabatic dynamics simulations of pyrrole
    Vazdar, Mario
    Eckert-Maksic, Mirjana
    Barbatti, Mario
    Lischka, Hans
    [J]. MOLECULAR PHYSICS, 2009, 107 (8-12) : 845 - 854
  • [8] Non-adiabatic simulations of the solvation dynamics of photoexcited sodide.
    Smallwood, CJ
    Bosma, WB
    Larsen, RE
    Schwartz, BJ
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 225 : U503 - U503
  • [9] Non-adiabatic molecular dynamics with quantum solvent effects
    Prezhdo, OV
    Brooksby, C
    [J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2003, 630 : 45 - 58
  • [10] Beyond Ehrenfest:: correlated non-adiabatic molecular dynamics
    Horsfield, AP
    Bowler, DR
    Fisher, AJ
    Todorov, TN
    Sánchez, CG
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2004, 16 (46) : 8251 - 8266