High-temperature series expansion for spin-1/2 Heisenberg models
High-temperature series expansion for spin-1/2 Heisenberg models
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DOI：
10.1016/j.cpc.2016.09.003
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发表时间：
2016-09
期刊：
影响因子：
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通讯作者：
A. Hehn;N. Well;M. Troyer
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文献类型：
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作者：
A. Hehn;N. Well;M. Troyer
本文给出了任意晶格上自旋为1/2的海森堡模型的高温级数展开程序。作为一个例子，我们演示了如何使用的应用程序的各向异性三角形晶格与两个独立的耦合J1和J2和计算的磁化率和静态结构因子的高温系列，分别到12和10阶。我们展示了如何提取有效的耦合常数的三角海森堡模型从实验数据Cs 2 CuBr 4。程序摘要程序标题：LCSE程序文件doi：http：//dx。doi。org/10.17632/vygxnfjt8b。1许可证条款：Apache-2.0。编程语言：C++ 11，MPI用于并行化，Mathematica用于结果分析。问题性质：任意晶格上量子磁体的热力学性质（磁化率和静态结构因子）的计算。一个特别困难的问题是量子磁体在如此沮丧的晶格几何形状上，因为它们不能通过量子蒙特卡罗方法有效地解决。解决方法：高温系列膨胀采用链接集群膨胀允许获得一个高阶系列的热力学极限中的热力学量的逆温度。由此产生的高温系列是准确的扩展阶。在任意维任意无限晶格上，实现了自旋1/2海森堡模型零场磁化率和静磁结构因子的高温级数计算.外部例程/库：ALPS [13]、[14]、GMP [29]
We present a high-temperature series expansion code for spin-1/2 Heisenberg models on arbitrary lattices. As an example we demonstrate how to use the application for an anisotropic triangular lattice with two independent couplings J 1 and J 2 and calculate the high-temperature series of the magnetic susceptibility and the static structure factor up to 12th and 10th order, respectively. We show how to extract effective coupling constants for the triangular Heisenberg model from experimental data on Cs 2 CuBr 4. Program summary Program Title: LCSE Program Files doi: http://dx. doi. org/10.17632/vygxnfjt8b. 1 Licensing provisions: Apache-2.0. Programming language: C++ 11, MPI for parallelization, Mathematica for analysis of results. Nature of problem: Calculation of thermodynamic properties (mag-netic susceptibility and static structure factor) for quantum magnets on arbitrary lattices. A particularly hard problem pose quantum magnets on so frustrated lattice geometries, as they cannot be solved efficiently by Quantum Monte Carlo methods. Solution method: High-temperature series expansions employing a linked-cluster expansion allow to obtain a high-order series in the inverse temperature for thermodynamic quantities in the thermodynamic limit. The resulting high-temperature series are exact up to the expansion order. We implement the calculation of high-temperature series for the zero-field magnetic susceptibility and static magnetic structure factor for the spin-1/2 Heisenberg model on arbitrary infinite lattices in arbitrary dimension. External routines/libraries: ALPS [13],[14], GMP [29]