双时间窗瞄准技术：PPP模型中的实时DMRG动态
Double Time Window Targeting Technique: Real time DMRG dynamics in the PPP model
摘要：
我们提出了一个广义的自适应含时密度矩阵重整化群（DMRG）计划，称为{ \it双时间窗瞄准}（DTWT）技术，它给出了准确的结果与标称的计算资源，在合理的计算时间。这个过程起源于融合的特征的步伐保持DMRG算法，首先提出了罗{ \it et. al}，[Phys.Rev. Lett. { \bf 91}，049701（2003）]和Feiguin和White的时间步靶向（TST）算法[Phys. Rev. B { \bf 72}，020404（2005）]。利用DTWT技术研究了具有长程电子-电子相互作用的低维多体系统中的自旋-电荷分离现象。在Pariser-Parr-Pople（PPP）模型中，包括长程电子关联的实时动力学问题尚未在文献中得到解决。目前对PPP链的研究表明，（i）与哈伯德模型相比，电子的长程相关使电子的电荷和自旋自由度在PPP模型中传播得更快，（ii）对于应用于共轭聚合物的PPP模型的标准参数，电荷速度几乎是自旋速度的两倍，（iii）仅通过重新归一化哈伯德模型的{ \it U}值来简单解释长程相关性不能解释PPP模型中掺杂空穴/电子的动力学。
英文摘要：
We present a generalized adaptive time-dependent density matrix renormalization group (DMRG) scheme, called the {\it double time window targeting} (DTWT) technique, which gives accurate results with nominal computational resources, within reasonable computational time. This procedure originates from the amalgamation of the features of pace keeping DMRG algorithm, first proposed by Luo {\it et. al}, [Phys.Rev. Lett. {\bf 91}, 049701 (2003)], and the time-step targeting (TST) algorithm by Feiguin and White [Phys. Rev. B {\bf 72}, 020404 (2005)]. Using the DTWT technique, we study the phenomena of spin-charge separation in conjugated polymers (materials for molecular electronics and spintronics), which have long-range electron-electron interactions and belong to the class of strongly correlated low-dimensional many-body systems. The issue of real time dynamics within the Pariser-Parr-Pople (PPP) model which includes long-range electron correlations has not been addressed in the literature so far. The present study on PPP chains has revealed that, (i) long-range electron correlations enable both the charge and spin degree of freedom of the electron, to propagate faster in the PPP model compared to Hubbard model, (ii) for standard parameters of the PPP model as applied to conjugated polymers, the charge velocity is almost twice that of the spin velocity and, (iii) the simplistic interpretation of long-range correlations by merely renormalizing the {\it U} value of the Hubbard model fails to explain the dynamics of doped holes/electrons in the PPP model.
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