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Accuracy of ghost rotationally invariant slave-boson and dynamical mean field theory as a function of the impurity-model bath size

Journal Article · · Physical Review. B
 [1];  [2];  [3]
  1. Rutgers University, Piscataway, NJ (United States); OSTI
  2. Rochester Institute of Technology, Rochester, NY (United States)
  3. Rutgers University, Piscataway, NJ (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)
+ Show Author Affiliations
Here, we compare the accuracy of the ghost rotationally invariant slave-boson (g-RISB) theory and dynamical mean field theory (DMFT) on the single-band Hubbard model, as a function of the number of bath sites in the embedding impurity Hamiltonian. Our benchmark calculations confirm that the accuracy of g-RISB can be systematically improved by increasing the number of bath sites, similar to DMFT. With a few bath sites, we observe that g-RISB is systematically more accurate than DMFT for the ground-state observables. On the other hand, the relative accuracy of these methods is generally comparable for the quasiparticle weight and the spectral function. As expected, we observe that g-RISB satisfies the variational principle in infinite dimensions, as the total energy decreases monotonically towards the exact value as a function of the number of bath sites, suggesting that the g-RISB wave function may approach the exact ground state in infinite dimensions. Our results suggest that the g-RISB is a promising method for first-principles simulations of strongly correlated matter, which can capture the behavior of both static and dynamical observables, at a relatively low computational cost.
Research Organization:
University of California, Santa Barbara, CA (United States)
Sponsoring Organization:
Simons Foundation; USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC)
Grant/Contract Number:
SC0022198
OSTI ID:
2422079
Journal Information:
Physical Review. B, Journal Name: Physical Review. B Journal Issue: 12 Vol. 107; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (60)

Bayesian inference and the analytic continuation of imaginary-time quantum Monte Carlo data journal May 1996
Quantum Embedding Theories journal November 2016
A Practical Guide to Density Matrix Embedding Theory in Quantum Chemistry journal May 2016
Ab initio quantum chemistry using the density matrix renormalization group journal March 1999
Fermionic wave functions from neural-network constrained hidden states journal August 2022
Local density approximation in site-occupation embedding theory journal May 2016
Temperature and bath size in exact diagonalization dynamical mean field theory journal December 2011
Finite temperature quantum embedding theories for correlated systems journal February 2017
Coupled-cluster impurity solvers for dynamical mean-field theory journal September 2019
Dynamical mean field theory simulations with the adaptive sampling configuration interaction method journal September 2019
Fully algebraic and self-consistent effective dynamics in a static quantum embedding journal February 2021
Tree tensor-network real-time multiorbital impurity solver: Spin-orbit coupling and correlation functions in Sr2RuO4 journal September 2021
Quantum embedding description of the Anderson lattice model with the ghost Gutzwiller approximation journal August 2021
Operatorial formulation of the ghost rotationally invariant slave-boson theory journal January 2022
Full configuration interaction quantum Monte Carlo for coupled electron-boson systems and infinite spaces journal October 2022
Application of Gutzwiller's Variational Method to the Metal-Insulator Transition journal November 1970
Constrained path Monte Carlo method for fermion ground states journal March 1997
Mott-Hubbard transition in infinite dimensions journal November 2001
Orbital-selective Mott transition in multiband systems: Slave-spin representation and dynamical mean-field theory journal November 2005
Pseudogap induced by short-range spin correlations in a doped Mott insulator journal April 2006
Competition between d -wave superconductivity and antiferromagnetism in the two-dimensional Hubbard model journal August 2006
Exact diagonalization dynamical mean-field theory for multiband materials: Effect of Coulomb correlations on the Fermi surface ofNa0.3CoO2 journal January 2007
Rotationally invariant slave-boson formalism and momentum dependence of the quasiparticle weight journal October 2007
Equivalence of Gutzwiller and slave-boson mean-field theories for multiband Hubbard models journal November 2007
Solving the dynamical mean-field theory at very low temperatures using the Lanczos exact diagonalization journal December 2007
Fermi-surface evolution across the magnetic phase transition in the Kondo lattice model journal October 2008
Fermi-liquid, non-Fermi-liquid, and Mott phases in iron pnictides and cuprates journal February 2010
Apical oxygens and correlation strength in electron- and hole-doped copper oxides journal September 2010
Dynamical mean field theory phase-space extension and critical properties of the finite temperature Mott transition journal May 2011
U ( 1 ) slave-spin theory and its application to Mott transition in a multiorbital model for iron pnictides journal August 2012
Truncated configuration interaction expansions as solvers for correlated quantum impurity models and dynamical mean-field theory journal October 2012
Efficient variational approach to the impurity problem and its application to the dynamical mean-field theory journal July 2013
Density matrix embedding from broken symmetry lattice mean fields journal January 2014
Efficient real-frequency solver for dynamical mean-field theory journal August 2014
Systematically improvable multiscale solver for correlated electron systems journal March 2015
Generalized slave-particle method for extended Hubbard models journal December 2015
Cluster size convergence of the density matrix embedding theory and its dynamical cluster formulation: A study with an auxiliary-field quantum Monte Carlo solver journal January 2017
Adaptively truncated Hilbert space based impurity solver for dynamical mean-field theory journal August 2017
Emergent Bloch excitations in Mott matter journal November 2017
Dynamical mean-field theory, density-matrix embedding theory, and rotationally invariant slave bosons: A unified perspective journal December 2017
Rigorous wave function embedding with dynamical fluctuations journal December 2018
Auxiliary field quantum Monte Carlo for multiband Hubbard models: Controlling the sign and phase problems to capture Hund's physics journal June 2019
Density Matrix Embedding: A Simple Alternative to Dynamical Mean-Field Theory journal November 2012
Slave Boson Theory of Orbital Differentiation with Crystal Field Effects: Application to UO 2 journal March 2017
Density matrix formulation for quantum renormalization groups journal November 1992
Exact diagonalization approach to correlated fermions in infinite dimensions: Mott transition and superconductivity journal March 1994
Correlation induced insulator to metal transitions journal April 1994
Dynamical Breakup of the Fermi Surface in a Doped Mott Insulator journal September 2005
Novel Mott Transitions in a Nonisotropic Two-Band Hubbard Model journal September 2005
Exciton Mott transition revisited journal May 2019
From the pseudogap metal to the Fermi liquid using ancilla qubits journal May 2020
Phase Diagram and Electronic Structure of Praseodymium and Plutonium journal January 2015
Fork Tensor-Product States: Efficient Multiorbital Real-Time DMFT Solver journal July 2017
Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions journal January 1996
Quantum cluster theories journal October 2005
Electronic structure calculations with dynamical mean-field theory journal August 2006
Continuous-time Monte Carlo methods for quantum impurity models journal May 2011
Self-energy-functional approach to systems of correlated electrons journal April 2003
The Metal–Insulator Transition in the Hubbard Model at zero Temperature ii journal April 1994
The Density Matrix Renormalization Group in Quantum Chemistry journal May 2011

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Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
Dynamical mean field theory
Electron-correlation calculations
Gutzwiller approximation
Many-body techniques
Materials Science
Physics
Slave bosons
Strong interaction