开放系统中波包时变计算的最短仿真箱

Z. Zhan, F. Traversa, X. Oriols
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引用次数: 1

摘要

提出了一种减少纯态量子输运随时间模拟计算量的新算法。该算法基于叠加原理和对活动区域外初始状态自由时间演化的解析知识,以及吸收层。它特别适合于研究(多粒子和高频效应)量子输运,但它也可以应用于任何其他研究领域,其中初始时依赖的纯态位于活跃区域之外。对于具有最短模拟盒的一维系统的数值结果表明,计算量减少了一个数量级以上,误差可以忽略不计。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The shortest simulation-box for time-dependent computation of wave packets in open system
A novel algorithm for a reduction of the computational burden associated to the time-dependent simulation of quantum transport with pure states is presented. The algorithm is based on using the superposition principle and the analytical knowledge of the free time-evolution of an initial state outside of the active region, together with absorbing layers. It is specially suited to study (many-particle and high-frequency effects) quantum transport, but it can also be applied to any other research field where the initial time-dependent pure state is located outside of the active region. Numerical results for a 1D system with the shortest simulation box imply a reduction of the computational burden of more than one order of magnitude with a negligible error.
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