Time dependent quantum propagation in phase space

被引:92
|
作者
Shalashilin, DV [1 ]
Child, MS [1 ]
机构
[1] Univ Oxford, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England
来源
JOURNAL OF CHEMICAL PHYSICS | 2000年 / 113卷 / 22期
关键词
D O I
10.1063/1.1322075
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
Numerical solutions of the quantum time-dependent integro-differential Schrodinger equation in a coherent state Husimi representation are investigated. Discretization leads to propagation on a grid of nonorthogonal coherent states without the need to invert an overlap matrix, with the further advantage of a sparse Hamiltonian matrix. Applications are made to the evolution of a Gaussian wave packet in a Morse potential. Propagation on a static rectangular grid is fast and accurate. Results are also presented for a moving rectangular grid, guided at its center by a mean classical path, and for a classically guided moving grid of individual coherent states taken from a Monte Carlo ensemble. (C) 2000 American Institute of Physics. [S0021-9606(00)00546-8].
引用
收藏
页码:10028 / 10036
页数:9
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