Efficient and accurate surface hopping for long time non-adiabatic quantum dynamics

被引:0
|
作者
Kelly, Aaron T. [1 ]
Markland, Thomas E. [1 ]
机构
[1] Stanford Univ, Dept Chem, Stanford, CA 94305 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
31-PHYS
引用
收藏
页数:1
相关论文
共 50 条
  • [42] A modular molecular dynamics quantum dynamics program for non-adiabatic proton transfers in solution
    Billeter, SR
    van Gunsteren, WF
    COMPUTER PHYSICS COMMUNICATIONS, 1997, 107 (1-3) : 61 - 91
  • [43] Quantum dynamics of a hydrogen-like atom in a time-dependent box: non-adiabatic regime
    Saparboy Rakhmanov
    Davron Matrasulov
    Victor I. Matveev
    The European Physical Journal D, 2018, 72
  • [44] Quantum dynamics of a hydrogen-like atom in a time-dependent box: non-adiabatic regime
    Rakhmanov, Saparboy
    Matrasulov, Davron
    Matveev, Victor, I
    EUROPEAN PHYSICAL JOURNAL D, 2018, 72 (10):
  • [45] Non-adiabatic effects in quantum escapes with a time-dependent potential
    Taniguchi, Tooru
    Sawada, Shin-ichi
    EUROPEAN PHYSICAL JOURNAL B, 2013, 86 (10):
  • [46] Linearized, time-dependent, non-adiabatic quantum correlation functions
    Bonella, S
    Coker, D
    COMPUTER PHYSICS COMMUNICATIONS, 2005, 169 (1-3) : 267 - 273
  • [47] Non-adiabatic effects in quantum escapes with a time-dependent potential
    Tooru Taniguchi
    Shin-ichi Sawada
    The European Physical Journal B, 2013, 86
  • [48] Non-adiabatic QM/MM: A hybrid approach to doing non-adiabatic excited state dynamics
    Tracy, Dustin
    Bjorgaard, Josiah
    Tretiak, Sergei
    Roitberg, Adrian
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
  • [49] Mixed quantum-classical dynamics on the exact time-dependent potential energy surface: a fresh look at non-adiabatic processes
    Agostini, Federica
    Abedi, Ali
    Suzuki, Yasumitsu
    Gross, E. K. U.
    MOLECULAR PHYSICS, 2013, 111 (22-23) : 3625 - 3640
  • [50] Non-adiabatic quantum dynamics of the electronic quenching OH(A2σ+) + Kr
    Gamallo, Pablo
    Zanchet, Alexandre
    Aoiz, F. Javier
    Petrongolo, Carlo
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 22 (30) : 17091 - 17105