Title of article
Improving the accuracy of semiclassical wavepacket propagation using integral conditioning techniques
Author/Authors
Herman، نويسنده , , Michael F.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1997
Pages
8
From page
445
To page
452
Abstract
An initial value representation semiclassical wavepacket propagation procedure is tested numerically for the two dimensional Henon-Heiles system. It has been shown in previous calculations on this system that the accuracy of semiclassical wavepacket propagation significantly degrades with time, due to the presence of chaotic trajectories. We find that the accuracy of the semiclassical propagation is greatly improved by the use of the integral conditioning technique of Filinov for preaveraging the phase space integral over frozen Gaussians in the semiclassical method.
Journal title
Chemical Physics Letters
Serial Year
1997
Journal title
Chemical Physics Letters
Record number
1770983
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