Time-integrated form of the semiclassical initial value method

被引:46
作者
Elran, Y [1 ]
Kay, KG [1 ]
机构
[1] Bar Ilan Univ, Dept Chem, IL-52900 Ramat Gan, Israel
关键词
D O I
10.1063/1.478810
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
A method is presented that greatly improves the efficiency of semiclassical initial value representation treatments by transforming phase space integration variables to time, energy, and additional coordinates and momenta on a Poincare surface. Since the integration over time can be treated as an integration along the classical motion, the number of trajectories needed to obtain convergence is significantly reduced. The technique is applied to test cases involving bounded motion with very encouraging results. (C) 1999 American Institute of Physics. [S0021-9606(99)01918-2].
引用
收藏
页码:8912 / 8918
页数:7
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