The photodissociation/recombination dynamics of I-2, in an Ar matrix: Wave packet propagation in a mixed quantum-classical picture

被引：0
|
作者：
Schmitt, U [1 ]
Brickmann, J [1 ]
机构：
[1] TH DARMSTADT,DARMSTADTER ZENTRUM WISSENSCHAFTLICHES RECHNEN,D-64287 DARMSTADT,GERMANY
来源：
JOURNAL OF MOLECULAR MODELING | 1996年 / 2卷 / 09期
关键词：
D O I：
10.1007/s0089460020300
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
引用
收藏
页码：300 / 303
页数：4
相关论文
共 50 条
  • [21] Mixed quantum-classical dynamics of an amide-I vibrational excitation in a protein α-helix
    Freedman, Holly
    Martel, Paulo
    Cruzeiro, Leonor
    PHYSICAL REVIEW B, 2010, 82 (17):
  • [22] Tunneling dynamics with a mixed quantum-classical method: Quantum corrected propagator combined with frozen Gaussian wave packets
    Gelman, David
    Schwartz, Steven D.
    JOURNAL OF CHEMICAL PHYSICS, 2008, 129 (02):
  • [23] Controlling quantum dynamics in condensed phases: I-2 in a cold argon matrix
    Che, JW
    Messina, M
    Wilson, KR
    Yan, YJ
    FEMTOCHEMISTRY: ULTRAFAST CHEMICAL AND PHYSICAL PROCESSES IN MOLECULAR SYSTEMS, 1996, : 360 - 365
  • [24] Multiple configuration quantum/classical studies of the photodissociation dynamics of Ar-H2O
    Feng, C
    McCoy, AB
    JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (41): : 8819 - 8826
  • [25] Machine Learning-Assisted Mixed Quantum-Classical Dynamics without Explicit Nonadiabatic Coupling: Application to the Photodissociation of Peroxynitric Acid
    Sit, Mahesh K.
    Das, Subhasish
    Samanta, Kousik
    JOURNAL OF PHYSICAL CHEMISTRY A, 2024, 128 (38): : 8244 - 8253
  • [26] Optimal laser control of ultrafast photodissociation of I2- in water:: Mixed quantum/classical molecular dynamics simulation
    Nishiyama, Y
    Kato, T
    Ohtsuki, Y
    Fujimura, Y
    JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (06): : 2685 - 2693
  • [27] Photodissociation, recombination, and electron transfer in cluster ions: A nonadiabatic molecular dynamics study of I-2(-)(CO2)(n)
    Delaney, N
    Faeder, J
    Maslen, PE
    Parson, R
    JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (44): : 8147 - 8151
  • [28] Mixed Quantum-Classical Dynamics Method Study of the Vibrational Frequency Shift of I2 in the Water Pool of Reverse Micelles
    Zhou Ai-Song
    Zhou Li-Chuan
    Li Shen-Min
    ACTA PHYSICO-CHIMICA SINICA, 2009, 25 (08) : 1572 - 1580
  • [29] The Mixed Quantum-Classical Molecular Dynamics Study of Vibrational Frequency Shift of I2 in Argon Solvent Confined by SWNT
    Hu, Fan
    Zheng, Xuefang
    Zhou, Aisong
    Li, Shenmin
    THEORY AND APPLICATIONS OF COMPUTATIONAL CHEMISTRY - 2008, 2009, 1102 : 200 - 203
  • [30] Ehrenfest plus R dynamics. I. A mixed quantum-classical electrodynamics simulation of spontaneous emission
    Chen, Hsing-Ta
    Li, Tao E.
    Sukharev, Maxim
    Nitzan, Abraham
    Subotnik, Joseph E.
    JOURNAL OF CHEMICAL PHYSICS, 2019, 150 (04):
12345