We present benchmark calculations of the Anderson lattice model based on the recently-developed "ghost Gutzwiller approximation". Our analysis shows that, in some parameters regimes, the predictions of the standard Gutzwiller approximation can be incorrect by orders of magnitude for this model. We show that this is caused by the inability of this method to describe simultaneously the Mott physics and the hybridization between correlated and itinerant degrees of freedom (whose interplay often governs the metal-insulator transition in real materials). Finally, we show that the ghost Gutzwiller approximation solves this problem, providing us with results in remarkable agreement with dynamical mean field theory throughout the entire phase diagram, while being much less computationally demanding. We provide an analytical explanation of these findings and discuss their implications within the context of ab-initio computation of strongly-correlated matter.
Unifying Variational and Dynamical Quantum Embedding: From Ghost Gutzwiller Approximation to Dynamical Mean-Field Theory
Center for Computational Quantum Physics, Flatiron Institute(平顶山研究所计算量子物理中心);Department of Physics, National Chung Cheng University(国立中正大学物理系);Ames National Laboratory(艾姆斯国家实验室);Department of Physics and Astronomy, Iowa State University(爱荷华州立大学物理与天文学系);Physics and Astronomy Department, Rutgers University(罗格斯大学物理与天文学系);Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory(布鲁克海文国家实验室凝聚态物理与材料科学系);Physics Department, Boston University(波士顿大学物理系);Université Paris-Saclay, CNRS, CEA, Institut de physique théorique(巴黎萨克雷大学、法国国家科学研究中心、法国原子能和替代能源委员会、理论物理研究所);School of Physics and Astronomy, Rochester Institute of Technology(罗切斯特理工学院物理与天文学院)
Magnetic phases of the anisotropic triangular Hubbard model from the ghost-Gutzwiller approximation in the rotating spin-frame
Université de Montréal(蒙特利尔大学);Flatiron Institute(平顿研究所);National Chung Cheng University(国立中正大学);Université de Sherbrooke(舍布鲁克大学);Rochester Institute of Technology(罗切斯特理工学院);Université Paris-Saclay(巴黎萨克雷大学)
Ground-state properties of the symmetric single-impurity Anderson model on a ring from Density-Matrix Renormalization Group, Hartree-Fock, and Gutzwiller theory
Linear Foundation Model for Quantum Embedding: Data-Driven Compression of the Ghost Gutzwiller Variational Space
Center for Computational Quantum Physics, Flatiron Institute(平顿研究所计算量子物理中心);School of Physics and Astronomy, Rochester Institute of Technology(罗切斯特理工学院物理与天文学院);Department of Chemistry, Aarhus University(奥胡斯大学化学系);Department of Physics, National Chung Cheng University(国立中正大学物理系);Université Paris-Saclay, CNRS, CEA, Institut de physique théorique(巴黎萨克雷大学、法国国家科学研究中心、法国原子能和替代能源委员会理论物理研究所);Ames National Laboratory(艾姆斯国家实验室);Department of Physics and Astronomy, Iowa State University(爱荷华州立大学物理与天文学系)
Band structure picture for topology in strongly correlated systems with the ghost Gutzwiller ansatz
International School for Advanced Studies (SISSA)(国际高等研究院);University of Cambridge(剑桥大学);Univ Toulouse, CNRS, Laboratoire de Physique Théorique(图卢兹大学,法国国家科学研究中心,理论物理实验室)
GEM: An implementation of the ghost-Gutzwiller approximation for simulating interacting quantum systems
Center for Computational Quantum Physics, Flatiron Institute(Flatiron研究所计算量子物理中心);Department of Physics, National Chung Cheng University(国立中正大学物理系);Physics Division, National Center for Theoretical Sciences(国家理论科学中心物理组);Ames National Laboratory(艾姆斯国家实验室);Department of Physics and Astronomy, Iowa State University(爱荷华州立大学物理与天文系);School of Physics and Astronomy, Rochester Institute of Technology(罗切斯特理工学院物理与天文学院);Université Paris-Saclay, CNRS, CEA, Institut de physique théorique(巴黎萨克雷大学、法国国家科学研究中心、法国原子能和替代能源委员会、理论物理研究所)
Quantum-Classical Embedding via Ghost Gutzwiller Approximation for Enhanced Simulations of Correlated Electron Systems
Ames National Laboratory(艾姆斯国家实验室);Department of Physics and Astronomy, Iowa State University(爱荷华州立大学物理与天文系);School of Electrical Engineering and Computer Science, Washington State University(华盛顿州立大学电气与计算机工程学院);School of Physics and Astronomy, Rochester Institute of Technology(罗切斯特理工学院物理与天文学院);Center for Computational Quantum Physics, Flatiron Institute(平顿研究所计算量子物理中心)
Anderson lattice with explicit Kondo coupling: general features and the field-induced suppression of heavy-fermion state in ferromagnetic phase
我们应用扩展的Gutzwiller型方法在外加磁场和强关联极限下求解周期性Anderson模型。通过将PAM转化为Kondo型相互作用和剩余杂化同时出现的形式,系统地包含了有限U修正。该有效哈密顿量代表了\textit{Anderson-Kondo lattice model}的本质。我们表明,在铁磁相的低能量单粒子状态的强烈影响的存在下所施加的磁场。我们还发现,大值的杂交强度的系统进入所谓的\textit{locked heavy fermion state}。在这种状态下,化学势位于多数自旋杂化间隙中,因此,系统演化对外加场的进一步增加不敏感。然而,对于足够强的磁场,系统从锁定状态转变到完全自旋极化相。这是伴随着一个变磁性转变,以及急剧减少的有效质量的准粒子。特别是,我们观察到的有效质量增强在多数自旋子带的减少多达20%,在完全极化状态。这些发现与Ce $_x$ La $_{1-x}$ B $_6$化合物的实验结果一致。自旋少数电子的质量增强也可能随着场的增加而减小,这与在强关联的相同极限下单个窄带中的准粒子态不同。
Variational Real-Time Dynamics on Reduced Operator Manifolds
IQM Quantum Computers(IQM量子计算机);Technical University of Munich, CIT, Department of Computer Science(慕尼黑工业大学计算与工程学院计算机科学系);École Polytechnique Fédérale de Lausanne (EPFL)(洛桑联邦理工学院);CNRS, Laboratoire de Physique Théorique de la Matière Condensée, Sorbonne Université(法国国家科学研究中心凝聚态物质理论物理实验室索邦大学)