The truncated polynomial expansion Monte Carlo method for fermion systems coupled to classical fields: a model independent implementation
The truncated polynomial expansion Monte Carlo method for fermion systems coupled to classical fields: a model independent implementation
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DOI：
10.1016/j.cpc.2005.02.001
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发表时间：
2005-02
期刊：
影响因子：
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通讯作者：
G. Alvarez;C. Şen;Nobuo Furukawa;Y. Motome;E. Dagotto;E. Dagotto
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文献类型：
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作者：
G. Alvarez;C. Şen;Nobuo Furukawa;Y. Motome;E. Dagotto;E. Dagotto
介绍了状态密度的多项式展开法(PEM)的一个软件库[Y.Motome，N.Furukawa，J.Phys.SoC。日本68(1999)3853；N.Furukawa，Y.Motome，H.Nakata，Comput.太棒了。通讯。142(2001)410]。该库以独立于模型的方式为PEM及其截断版本(TPEM)的使用提供了所有必要的功能。PEM/TPEM代替了费米子与经典场耦合模型中单电子扇区的精确对角化。对于TPEM，算法的计算成本是O(N)-其中N是晶格位置的数量[N.Furukawa，Y.Motome，J.Phys.SoC。日本73(2004)1482]，这应该与对角化技术的计算成本进行对比，该技术的规模为O(N4)。首次将该方法应用于具有有限Hund耦合的双交换模型和稀疏自旋费米子模型。课程摘要：图书馆名称：TPEM目录标识：ADVK课程摘要网址：http://cpc.cs.qub.ac.uk/summaries/ADVK课程可从：CPC课程图书馆，贝尔法斯特女王大学，北爱尔兰编号。分布式程序中的行数，包括测试数据等：1707第分布式程序中的字节数，包括测试数据等：13 644分布格式：tar.gz操作系统：linux，unix文件数：4+1测试程序编程语言使用：C计算机：PC物理问题的本质：对与经典场耦合的关联电子的研究出现在对凝聚态理论非常感兴趣的许多材料的处理中，例如，锰氧化物、稀磁半导体和高温超导体等。求解方法：通常，电子扇区的精确对角化是在这种类型的模型中执行的，用于经典场的每种配置，并使用经典蒙特卡罗算法进行积分。状态密度的多项式展开式能够代替精确对角化，将问题的计算复杂度从O(N4)降低到O(N)，并允许研究更大的晶格和更复杂和现实的系统。
A software library is presented for the polynomial expansion method (PEM) of the density of states (DOS) introduced in [Y. Motome, N. Furukawa, J. Phys. Soc. Japan 68 (1999) 3853; N. Furukawa, Y. Motome, H. Nakata, Comput. Phys. Comm. 142 (2001) 410]. The library provides all necessary functions for the use of the PEM and its truncated version (TPEM) in a model independent way. The PEM/TPEM replaces the exact diagonalization of the one electron sector in models for fermions coupled to classical fields. The computational cost of the algorithm is O(N)—with N the number of lattice sites—for the TPEM [N. Furukawa, Y. Motome, J. Phys. Soc. Japan 73 (2004) 1482] which should be contrasted with the computational cost of the diagonalization technique that scales as O(N4). The method is applied for the first time to a double exchange model with finite Hund coupling and also to diluted spin–fermion models. PROGRAM SUMMARY: Title of library:TPEM Catalogue identifier: ADVK Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVK Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland No. of lines in distributed program, including test data, etc.: 1707 No. of bytes in distributed program, including test data, etc.: 13 644 Distribution format:tar.gz Operating system:Linux, UNIX Number of files:4 plus 1 test program Programming language used:C Computer:PC Nature of the physical problem:The study of correlated electrons coupled to classical fields appears in the treatment of many materials of much current interest in condensed matter theory, e.g., manganites, diluted magnetic semiconductors and high temperature superconductors among others. Method of solution: Typically an exact diagonalization of the electronic sector is performed in this type of models for each configuration of classical fields, which are integrated using a classical Monte Carlo algorithm. A polynomial expansion of the density of states is able to replace the exact diagonalization, decreasing the computational complexity of the problem from O(N4) to O(N) and allowing for the study of larger lattices and more complex and realistic systems.