The Gutzwiller conjugate gradient minimization method for correlated electron systems

The Gutzwiller conjugate gradient minimization method for correlated electron systems
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相关电子系统的 Gutzwiller 共轭梯度最小化方法

DOI:
10.1088/1361-648x/ac5e03
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发表时间:
2022-03
期刊:
Journal of Physics: Condensed Matter
影响因子:
--
通讯作者:
Kai-Ming Ho
Kai-Ming Ho
中科院分区:
其他
文献类型:
--
作者:
Zhuo Ye;Yimei Fang;Han Zhang;Feng Zhang;Shunqing Wu;Wen-Cai Lu;Yong-Xin Yao;Cai-Zhuang Wang;Kai-Ming Ho

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我们回顾了我们最近的工作Gutzwiller共轭梯度最小化方法,从头算方法开发的相关电子系统。完整的形式主义已被概述,允许系统的理解的方法,其次是二聚体,一维和二维单带哈伯德模型的基准研究的讨论。最后,我们给出了F2的多带Hubbard模型和大基计算的一些初步结果,以说明我们为进一步降低计算复杂度所做的努力。
We review our recent work on the Gutzwiller conjugate gradient minimization method, an ab initio approach developed for correlated electron systems. The complete formalism has been outlined that allows for a systematic understanding of the method, followed by a discussion of benchmark studies of dimers, one- and two-dimensional single-band Hubbard models. In the end, we present some preliminary results of multi-band Hubbard models and large-basis calculations of F2 to illustrate our efforts to further reduce the computational complexity.
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影响因子: 3.7
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