A time-independent wavepacket approach to the (t,t')-method for treating time-dependent Hamiltonian systems

被引:17
作者
Althorpe, SC
Kouri, DJ
Hoffman, DK
Moiseyev, N
机构
[1] UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77204
[2] IOWA STATE UNIV,DEPT CHEM,AMES,IA 50011
[3] IOWA STATE UNIV,AMES LAB,AMES,IA 50011
[4] TECHNION ISRAEL INST TECHNOL,DEPT CHEM,IL-32000 HAIFA,ISRAEL
[5] TECHNION ISRAEL INST TECHNOL,MINERVA CTR NONLINEAR PHYS COMPLEX SYST,IL-32000 HAIFA,ISRAEL
关键词
D O I
10.1016/S0301-0104(97)00062-1
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
We derive the appropriate ''time-independent wavepacket'' (TIW) form of the Schrodinger equation governing collisions involving a time-dependent interaction. This is done using the (t, t')-method, whereby the time-dependence is treated like an additional spatial variable, t', and a quasi-time, t, is introduced of which the Hamiltonian is independent. The TIW equation is solved numerically by a Chebyshev expansion method which separates dependence on the initial energy from dependence on the Hamiltonian. This results in a very efficient computational procedure which we illustrate by application to scattering through an oscillating square-barrier potential. (C) 1997 Elsevier Science B.V.
引用
收藏
页码:289 / 296
页数:8
相关论文
共 35 条
[1]   BROKEN DYNAMICAL SYMMETRY CONDITION TO CONTROL A CHEMICAL-REACTION BY THE COMPLEX COORDINATE (T,T') METHOD [J].
ALON, OE ;
MOISEYEV, N .
CHEMICAL PHYSICS, 1995, 196 (03) :499-510
[2]   TRAVERSAL TIME FOR TUNNELING [J].
BUTTIKER, M ;
LANDAUER, R .
PHYSICAL REVIEW LETTERS, 1982, 49 (23) :1739-1742
[3]   FURTHER ANALYSIS OF SOLUTIONS TO THE TIME-INDEPENDENT WAVE-PACKET EQUATIONS FOR QUANTUM DYNAMICS - GENERAL INITIAL WAVE-PACKETS [J].
HOFFMAN, DK ;
HUANG, YH ;
ZHU, W ;
KOURI, DJ .
JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (02) :1242-1250
[4]   PROPERTIES OF THE OPTIMUM DISTRIBUTED APPROXIMATING FUNCTION CLASS PROPAGATOR FOR DISCRETIZED AND CONTINUOUS WAVE PACKET PROPAGATIONS [J].
HOFFMAN, DK ;
ARNOLD, M ;
KOURI, DJ .
JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (16) :6539-6545
[5]   DISTRIBUTED APPROXIMATING FUNCTION-THEORY - A GENERAL, FULLY QUANTAL APPROACH TO WAVE-PROPAGATION [J].
HOFFMAN, DK ;
KOURI, DJ .
JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (03) :1179-1184
[6]   INTERACTING DISTRIBUTED APPROXIMATING FUNCTIONS FOR REAL-TIME QUANTUM DYNAMICS [J].
HOFFMAN, DK ;
ARNOLD, M ;
ZHU, W ;
KOURI, DJ .
JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (02) :1124-1134
[7]  
HOLLOWAY S, 1990, INTERACTION ATOMS MO, P567
[8]  
HUANG Y, 1993, CHEM PHYS LETT, V213, P219
[9]  
HUANG Y, UNPUB
[10]  
HUANG Y, 1994, J CHEM PHYS, V101, P10506