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用于准一维磁性分子和链的热密度矩阵重整化群方法

Approximating thermodynamic equilibrium observables of quasi one-dimensional magnetic molecules and chains by thermal DMRG - a user perspective

L. Horstmann, J. Schnack

arXiv 2608.24608首次发表:更新:

发表机构

Universität Bielefeld(比勒费尔德大学)

机构由 AI 辅助整理,请以论文原文为准。

AI 中文总结

该研究采用TenPy套件,将密度矩阵重整化群方法应用于无法用精确对角化或Krylov空间方法处理的准一维磁性分子和链,评估其热平衡性质计算的精度。

AI 中文摘要

密度矩阵重整化群(DMRG)方法或一般的张量网络方法不仅可用于确定基态,还能评估热平衡性质。尽管对于具有最近邻交换和开放边界条件的一维量子自旋系统,其收敛性更优,但人们希望这些方法也可用于近似具有更复杂相互作用模式的磁性分子的磁可观测量。本文中,我们使用TenPy套件,研究多种典型准一维结构实际可达到的精度。本研究针对的是大到无法用精确对角化或Krylov空间方法处理的系统。

英文摘要

Density matrix renormalization group methods or tensor network methods in general can not only be used to determine ground states but also to evaluate thermal equilibrium properties. Although convergence is superior for one-dimensional quantum spin systems with nearest neighbor exchange and open boundary conditions, the hope is that these methods can as well be employed to approximate magnetic observables of magnetic molecules with more complex interaction patterns. Here, we assume the position of a user and study the accuracy that can realistically be achieved for several archetypical quasi one-dimensional structures using the TenPy suite. In our study, we aim at systems that are too large for exact diagonalization or Krylov space methods.

Comments10 pages, 10 figures

论文原文

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