Title of article
Shifted-update rotation wavepacket propagation with a laser pulse
Author/Authors
Engel، نويسنده , , Marja and Gruebele، نويسنده , , Martin، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2007
Pages
5
From page
368
To page
372
Abstract
SUR is the simplest symplectic propagator applicable to quantum wavepacket propagation in the energy representation. We decompose the algorithm into unimodular modules that allow the implementation of complex, time-varying matrix elements. This allows the algorithm to be applied to the propagation of wavepackets coupled to a time-varying classical external field, without changing the scaling of the computational time with system size. An adaptive time step version of the algorithm is implemented.
Journal title
Chemical Physics Letters
Serial Year
2007
Journal title
Chemical Physics Letters
Record number
1921038
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