Ground-state properties of the Hubbard model in one and two dimensions from the Gutzwiller conjugate gradient minimization theory
Ground-state properties of the Hubbard model in one and two dimensions from the Gutzwiller conjugate gradient minimization theory
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DOI：
10.1103/physrevb.101.205122
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发表时间：
2020-04
影响因子：
3.7
通讯作者：
Z. Ye;Feng Zhang;Yongxin Yao;Caizhuang Wang;K. Ho
中科院分区：
文献类型：
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作者：
Z. Ye;Feng Zhang;Yongxin Yao;Caizhuang Wang;K. Ho
我们介绍Gutzwiller共轭梯度极小化（GCGM）理论，一个从头计算量子多体理论计算无限系统的基态性质。GCGM使用Gutzwiller波函数，但不使用通常采用的Gutzwiller近似（GA），这是不准确的主要来源。相反，该理论使用的近似值是基于现场配置的占用概率，而不是近似值，解耦的站点站点的相关性，如在GA中使用的。我们测试的理论在一维和二维的哈伯德模型在各种电子密度，并发现GCGM再现能量和双occupancy在一个非常小的计算成本与基准数据在合理的协议。
We introduce Gutzwiller conjugate gradient minimization (GCGM) theory, an ab initio quantum many-body theory for computing the ground-state properties of infinite systems. GCGM uses the Gutzwiller wave function but does not use the commonly adopted Gutzwiller approximation (GA), which is a major source of inaccuracy. Instead, the theory uses an approximation that is based on the occupation probability of the on-site configurations, rather than approximations that decouple the site-site correlations as used in the GA. We test the theory in the one-dimensional and two-dimensional Hubbard models at various electron densities and find that GCGM reproduces energies and double occupancies in reasonable agreement with benchmark data at a very small computational cost.