Quantum wavepacket dynamics with trajectories: wavefunction synthesis along quantum paths

被引:112
|
作者
Wyatt, RE [1 ]
机构
[1] Univ Texas, Inst Theoret Chem, Austin, TX 78712 USA
[2] Univ Texas, Dept Biochem & Chem, Austin, TX 78712 USA
基金
美国国家科学基金会;
关键词
D O I
10.1016/S0009-2614(99)00921-5
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
The quantum trajectory method (QTM) for wavepacket dynamics involves integration of the quantum hydrodynamic equations for fluid elements (particles) [C. Lopreore and R.E. Wyatt, Phys. Rev. Lett. 82 (1999) 5190]. In this study, it is shown how the wavefunction modulus and phase (action function) may be computed from information carried by the particles as they move along quantum trajectories. The action function is computed by integrating the quantum Lagrangian along the particle trajectories. For a model collinear reaction, plots are presented for the time evolving probability density, Lagrangian, and action function. (C) 1999 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:189 / 197
页数:9
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