Title of article
A numerical test of different integral conditioning approximations for a semiclassical initial value representation for wavepacket propagation
Author/Authors
Guerin، نويسنده , , Brianna E and Herman، نويسنده , , Michael F، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1998
Pages
8
From page
361
To page
368
Abstract
Recent numerical evidence indicates that the rapid spreading of nearby classical trajectories in chaotic regions results in numerical difficulties and reduced accuracy for semiclassical initial value representation methods. These problems can be significantly reduced and the accuracy of the methods increased through the application of integral conditioning techniques, which have been developed for the numerical evaluation of integrals with highly oscillatory integrands. This work studies the effectiveness of these conditioning techniques, when applied to one semiclassical initial value representation wavepacket propagation procedure, the HK propagator method.
Journal title
Chemical Physics Letters
Serial Year
1998
Journal title
Chemical Physics Letters
Record number
1772893
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