Ab initio quantum molecular dynamics

被引:429
作者
Ben-Nun, M
Martínez, TJ
机构
[1] Univ Illinois, Dept Chem, Urbana, IL 61801 USA
[2] Univ Illinois, Beckman Inst, Urbana, IL 61801 USA
来源
ADVANCES IN CHEMICAL PHYSICS, VOLUME 121 | 2002年 / 121卷
关键词
D O I
10.1002/0471264318.ch7
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
[No abstract available]
引用
收藏
页码:439 / 512
页数:74
相关论文
共 214 条
  • [1] 185-NM PHOTOCHEMISTRY OF CYCLOBUTENE AND BICYCLO[1.1.0]BUTANE
    ADAM, W
    OPPENLANDER, T
    ZANG, G
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) : 3921 - 3924
  • [2] Local propagating Gaussians:: flexible vs. frozen widths
    Anderson, SM
    Park, TJ
    Neuhauser, D
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1999, 1 (06) : 1343 - 1349
  • [3] A simple and accurate approximation for a coupled system-bath: locally propagating Gaussians
    Anderson, SM
    Zink, JI
    Neuhauser, D
    [J]. CHEMICAL PHYSICS LETTERS, 1998, 291 (3-4) : 387 - 392
  • [4] [Anonymous], 1990, COMPUTER MODELLING F
  • [5] DYNAMICS OF WAVE-PACKETS AND THE TIME-DEPENDENT VARIATIONAL PRINCIPLE
    ARICKX, F
    BROECKHOVE, J
    KESTELOOT, E
    LATHOUWERS, L
    VANLEUVEN, P
    [J]. CHEMICAL PHYSICS LETTERS, 1986, 128 (03) : 310 - 314
  • [6] NEWTONIAN PROPAGATION METHODS APPLIED TO THE PHOTODISSOCIATION DYNAMICS OF I-3(-)
    ASHKENAZI, G
    KOSLOFF, R
    RUHMAN, S
    TALEZER, H
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (23) : 10005 - 10014
  • [7] POTENTIAL-ENERGY SURFACES NEAR INTERSECTIONS
    ATCHITY, GJ
    XANTHEAS, SS
    RUEDENBERG, K
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (03) : 1862 - 1876
  • [8] A study of conical intersection effects on scattering processes: The validity of adiabatic single-surface approximations within a quasi-Jahn-Teller model
    Baer, R
    Charutz, DM
    Kosloff, R
    Baer, M
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (20) : 9141 - 9152
  • [9] STEREOSLECTIVE PHOTOCHEMICAL ELECTROCYCLIC VALENCE ISOMERIZATIONS OF ALPHA-PHELLANDRENE CONFORMATIONAL ISOMERS
    BALDWIN, JE
    KRUEGER, SM
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (23) : 6444 - &
  • [10] PHOTODISSOCIATION OF ETHYLENE AT 193 NM
    BALKO, BA
    ZHANG, J
    LEE, YT
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (02) : 935 - 942