HAMILTON-JACOBI DYNAMICS FOR THE SOLUTION OF TIME-DEPENDENT QUANTUM PROBLEMS .2. WAVE-PACKET PROPAGATION IN 2-DIMENSIONAL, NONLINEARLY COUPLED OSCILLATORS - EXACT AND TIME-DEPENDENT SCF-SOLUTIONS

被引:5
|
作者
GUNKEL, T
BAR, HJ
ENGEL, M
YURTSEVER, E
BRICKMANN, J
机构
[1] TH DARMSTADT,PETERSENSTR 20,D-64287 DARMSTADT,GERMANY
[2] HEBREW UNIV JERUSALEM,CTR VISUALIZAT DYNAM SYST,JERUSALEM,ISRAEL
[3] MIDDLE E TECH UNIV,DEPT CHEM,ANKARA,TURKEY
关键词
COMPUTER EXPERIMENTS; QUANTUM MECHANICS; WAVE FUNCTIONS;
D O I
10.1002/bbpc.19940981209
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Methods for the approximate numerical integration of the time dependent Schrodinger equation with given initial conditions (the initial wave packet) are presented. The methods are based on the Schrodinger representation of the quantum dynamic system. The quantum dynamic equations are transformed into Hamilton-Jacobi type equations of motion as they occur in multi particle classical dynamics, i.e. standard techniques in molecular dynamics can be applied for the integration. The dynamics of minimum uncertainty Gaussian wave packets in strongly nonharmonic, nonlinearly coupled oscillators are studied as examples. The numerically exact solutions are compared to time dependent SCF approximations of the wave packet.
引用
收藏
页码:1552 / 1562
页数:11
相关论文
共 50 条
  • [41] An exact non reflecting boundary condition for 2D time-dependent wave equation problems
    Falletta, Silvia
    Monegato, Giovanni
    WAVE MOTION, 2014, 51 (01) : 168 - 192
  • [42] SOLUTION OF THE TIME-DEPENDENT SCHRODINGER-EQUATION FOR 2-DIMENSIONAL SPIN-1/2 HEISENBERG SYSTEMS
    DEVRIES, P
    DERAEDT, H
    PHYSICAL REVIEW B, 1993, 47 (13): : 7929 - 7937
  • [43] Simultaneous control of time-dependent population transfer dynamics and wave-packet quantum interferences in Li2 by shaped ultrafast pulses -: art. no. 043402
    Ballard, JB
    Stauffer, HU
    Mirowski, E
    Leone, SR
    PHYSICAL REVIEW A, 2002, 66 (04):
  • [44] TIME-DEPENDENT COUPLED-CLUSTER APPROXIMATION TO NUCLEAR-DYNAMICS .2. GENERAL FORMULATION
    HOODBHOY, P
    NEGELE, JW
    PHYSICAL REVIEW C, 1979, 19 (05): : 1971 - 1982
  • [45] Time-dependent quantum wave packet study of H+HCN→H2+CN reaction
    Ma, WY
    Han, KL
    Wang, ML
    Zhang, JZH
    JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (01): : 172 - 176
  • [46] QUASI-EQUILIBRIA - A SPECIAL-CLASS OF TIME-DEPENDENT SOLUTIONS OF THE 2-DIMENSIONAL MAGNETOHYDRODYNAMIC EQUATIONS
    NEUKIRCH, T
    PHYSICS OF PLASMAS, 1995, 2 (12) : 4389 - 4399
  • [47] Dynamics studies of O+ + D2 reaction using the time-dependent wave packet method
    Zhu, Ziliang
    Li, Li
    Li, Qiju
    Teng, Bing
    MOLECULAR PHYSICS, 2020, 118 (04)
  • [48] Excess electron interaction with radiosensitive 5-bromopyrimidine in aqueous solution: a combined ab initio molecular dynamics and time-dependent wave-packet study
    Zhang, Changzhe
    Bu, Yuxiang
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 17 (30) : 19797 - 19805
  • [49] FINITE-ELEMENT METHOD FOR ONE-DIMENSIONAL AND 2-DIMENSIONAL TIME-DEPENDENT PROBLEMS WITH B-SPLINES
    VISWANADHAM, KNSK
    KONERU, SR
    COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING, 1993, 108 (3-4) : 201 - 222
  • [50] Photochemistry of pyrrole:: Time-dependent quantum wave-packet description of the dynamics at the 1πσ*-S0 conical intersections -: art. no. 144307
    Vallet, V
    Lan, ZG
    Mahapatra, S
    Sobolewski, AL
    Domcke, W
    JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (14):