Quantum-embedding description of the Anderson lattice model with the ghost Gutzwiller Approximation
arXiv:2106.05985 · doi:10.1103/PhysRevB.104.L081103
Abstract
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.
13 pages, 6 figures
References in corpus (12)
- Continuous-time Monte Carlo methods for quantum impurity models
- Quantum Monte Carlo Impurity Solver for Cluster DMFT and Electronic Structure Calculations in Adjustable Base
- Dynamical Mean-Field Theory within an Augmented Plane-Wave Framework: Assessing Electronic Correlations in the Iron Pnictide LaFeAsO
- Variational cluster approach to correlated electron systems in low dimensions
- Quantum embedding theories
- Dynamical mean-field theory using Wannier functions: a flexible route to electronic structure calculations of strongly correlated materials
- Rotationally-invariant slave-boson formalism and momentum dependence of the quasiparticle weight
- Gutzwiller density functional theory for correlated electron systems
- Equivalence of Gutzwiller and slave-boson mean-field theories for multi-band Hubbard models
- Dynamical Mean Field Theory, Density-Matrix Embedding Theory and Rotationally Invariant Slave Bosons: a Unified Perspective
- Rotationally invariant slave-boson and density matrix embedding theory: A unified framework and a comparative study on the 1D and 2D Hubbard Model
- Metal-Insulator transitions in the periodic Anderson model