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
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
Journal title :
Chemical Physics Letters