Cluster-based mean-field and perturbative description of strongly correlated fermion systems: Application to the one- and two-dimensional Hubbard model

被引:39
作者
Jimenez-Hoyos, Carlos A. [1 ]
Scuseria, Gustavo E. [1 ,2 ]
机构
[1] Rice Univ, Dept Chem, Houston, TX 77005 USA
[2] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA
来源
PHYSICAL REVIEW B | 2015年 / 92卷 / 08期
关键词
QUANTUM RENORMALIZATION-GROUPS; DENSITY-MATRIX; GENERAL FORMULATION; MOLECULAR-ORBITALS; STATES;
D O I
10.1103/PhysRevB.92.085101
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We introduce a mean-field and a perturbative approach, based on clusters, to describe the ground state of fermionic strongly correlated systems. In the cluster mean-field approach, the ground-state wave function is written as a simple tensor product over optimized cluster states. The optimization of the single-particle basis where the cluster mean field is expressed is crucial in order to obtain high-quality results. The mean-field nature of the Ansatz allows us to formulate a perturbative approach to account for intercluster correlations; other traditional many-body strategies can be easily devised in terms of the cluster states. We present benchmark calculations on the half-filled 1D and (square) 2D Hubbard model, as well as the lightly doped regime in 2D, using cluster mean-field and second-order perturbation theory. Our results indicate that, with sufficiently large clusters or to second-order in perturbation theory, a cluster-based approach can provide an accurate description of the Hubbard model in the considered regimes. Several avenues to improve upon the results presented in this work are discussed.
引用
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页数:20
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