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arXiv 2305.18643cond-mat.str-el
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Pyqcm:一个用于量子团簇方法的开源Python库

Pyqcm: An open-source Python library for quantum cluster methods

Théo N. Dionne, Alexandre Foley, Moïse Rousseau, David Sénéchal

AI总结:

Pyqcm是一个开源Python/C++库,采用精确对角化杂质求解器实现CPT、VCA和CDMFT等量子团簇方法,用于研究强关联电子和Hubbard类模型的近似解。

摘要:

Pyqcm是一个Python/C++库,它使用精确对角化杂质求解器实现了几种量子团簇方法。量子团簇方法用于研究强关联电子,为Hubbard类模型提供近似解。该库涵盖的方法包括团簇微扰理论(CPT)、变分团簇方法(VCA)和元胞(或团簇)动力学平均场理论(CDMFT)。杂质求解器(用于计算团簇相互作用格林函数的技术)是基于稀疏矩阵的精确对角化,使用Lanczos算法及其变体。核心库用C++编写以保证性能,但接口采用Python,以便于使用并与数值Python生态系统互操作。该库在GPL许可证下分发。

英文摘要:

Pyqcm is a Python/C++ library that implements a few quantum cluster methods with an exact diagonalization impurity solver. Quantum cluster methods are used in the study of strongly correlated electrons to provide an approximate solution to Hubbard-like models. The methods covered by this library are Cluster Perturbation Theory (CPT), the Variational Cluster Approach (VCA) and Cellular (or Cluster) Dynamical Mean Field Theory (CDMFT). The impurity solver (the technique used to compute the cluster's interacting Green function) is exact diagonalization from sparse matrices, using the Lanczos algorithm and variants thereof. The core library is written in C++ for performance, but the interface is in Python, for ease of use and inter-operability with the numerical Python ecosystem. The library is distributed under the GPL license.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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