Scattered wave packet formalism for open quantum systems: Comparison with the non-Markovian time-dependent Schr枚dinger equation

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• 作者：Chia-Chun Chou ; ^{chiachun@mail.utexas.edu} ; Robert E. Wyatt ^{wyattre@mail.utexas.edu}
• 关键词：Scattered wave function ; Non-Markovian Schr&ouml ; dinger equation ; Open boundary condition ; Green function ; Quantum wave packet scattering
• 刊名：Annals of Physics
• 出版年：2012
• 期刊代码：63_00034916
• 类别：mt
• 出版时间：May, 2012
• 卷：327
• 期：5
• 页码：1355-1364
• 文件大小：418 K

摘要

Computational comparison is presented between the scattered wave packet formalism and the non-Markovian time-dependent Schr枚dinger equation (TDSE). These two approaches have been developed to deal with open quantum systems. We employ these methods to study the dynamics of a Gaussian wave packet scattering from the Eckart barrier. It is shown that strongly oscillatory Green functions required in the integration of the non-Markovian TDSE significantly increase computational effort even for one-dimensional problems. Computational results indicate that the scattered wave packet formalism can achieve higher accuracy and can be several orders of magnitude faster than the integration of the non-Markovian TDSE.