Based on a recently developed variational method, we explore the properties of the Holstein polaron on an infinite lattice in D dimensions, where $1<~D<~4.$ The computational method converges as a power law, so that highly accurate results can be achieved with modest resources. We present the most accurate ground state energy (with no small parameter) to date for polaron problems, 21 digits for the one-dimensional (1D) polaron at intermediate coupling. The dimensionality effects on polaron band dispersion, effective mass, and electron-phonon (el-ph) correlation functions are investigated in all coupling regimes. It is found that the crossover to large effective mass of the higher-dimensional polaron is much sharper than the 1D polaron. The correlation length between the electron and phonons decreases significantly as the dimension increases. Our results compare favorably with those of the quantum Monte Carlo, dynamical mean-field theory, density-matrix renormalization-group, and Toyozawa variational methods. We demonstrate that the Toyozawa wave function is qualitatively correct for the ground-state energy and the two-point electron-phonon correlation functions, but fails for the three-point functions. Based on this finding, we propose an improved Toyozawa variational wave function.Based on a recently developed variational method, we explore the properties of the Holstein polaron on an infinite lattice in D dimensions, where $1<~D<~4.$ The computational method converges as a power law, so that highly accurate results can be achieved with modest resources. We present the most accurate ground state energy (with no small parameter) to date for polaron problems, 21 digits for the one-dimensional (1D) polaron at intermediate coupling. The dimensionality effects on polaron band dispersion, effective mass, and electron-phonon (el-ph) correlation functions are investigated in all coupling regimes. It is found that the crossover to large effective mass of the higher-dimensional polaron is much sharper than the 1D polaron. The correlation length between the electron and phonons decreases significantly as the dimension increases. Our results compare favorably with those of the quantum Monte Carlo, dynamical mean-field theory, density-matrix renormalization-group, and Toyozawa variational methods. We demonstrate that the Toyozawa wave function is qualitatively correct for the ground-state energy and the two-point electron-phonon correlation functions, but fails for the three-point functions. Based on this finding, we propose an improved Toyozawa variational wave function.

arXiv:cond-mat/0109282Physical review. B, Condensed matterApr 29, 2002127 citations

Gutzwiller-correlated wave functions for degenerate bands: exact results in infinite dimensions

Jörg Bünemann, Florian Gebhard, W Weber

We introduce Gutzwiller-correlated wave functions for the variational investigation of general multi-band Hubbard models. We set up a diagrammatic formalism which allows us to evaluate analytically ground-state properties in the limit of infinite spatial dimensions. In this limit recent results obtained within the Gutzwiller approximation are seen to become exact for these wave functions. We further show that the slave-boson mean-field theory for degenerate bands becomes variationally controlled at zero temperature in infinite dimensions. Lastly, we briefly comment on the variational approach to the Anderson transition in strongly correlated electron systems.We introduce Gutzwiller-correlated wave functions for the variational investigation of general multi-band Hubbard models. We set up a diagrammatic formalism which allows us to evaluate analytically ground-state properties in the limit of infinite spatial dimensions. In this limit recent results obtained within the Gutzwiller approximation are seen to become exact for these wave functions. We further show that the slave-boson mean-field theory for degenerate bands becomes variationally controlled at zero temperature in infinite dimensions. Lastly, we briefly comment on the variational approach to the Anderson transition in strongly correlated electron systems.

arXiv:cond-mat/9704037Journal of Physics Condensed MatterSep 1, 199734 citations

VARIATIONAL MONTE CARLO STUDIES OF CORRELATED ELECTRONS

Hiroyuki Shiba

WORLD SCIENTIFIC eBooksDec 1, 19931 citation

Correlated Lattice Fermions in d = ∞ Dimensions

Walter Metzner, D. Vollhardt

We show that even in $d=\ensuremath{\infty}$ dimensions the Hubbard model, when scaled properly, describes nontrivial correlations among fermions. Diagrammatic treatments are found to be substantially simpler than in finite dimensions. The weak-coupling correlation energy is seen to be a good approximation for that in $d=3$ . Recent approximations based on slave-boson techniques are recovered by the exact evaluation of explicit variational wave functions in $d=\ensuremath{\infty}$.We show that even in $d=\ensuremath{\infty}$ dimensions the Hubbard model, when scaled properly, describes nontrivial correlations among fermions. Diagrammatic treatments are found to be substantially simpler than in finite dimensions. The weak-coupling correlation energy is seen to be a good approximation for that in $d=3$. Recent approximations based on slave-boson techniques are recovered by the exact evaluation of explicit variational wave functions in $d=\ensuremath{\infty}$.

Physical Review LettersJan 16, 19892,347 citations

Based on a recently developed variational method, we explore the properties of the Holstein polaron on an infinite lattice in D dimensions, where

1<~D<~4.

The computational method converges as a power law, so that highly accurate results can be achieved with modest resources. We present the most accurate ground state energy (with no small parameter) to date for polaron problems, 21 digits for the one-dimensional (1D) polaron at intermediate coupling. The dimensionality effects on polaron band dispersion, effective mass, and electron-phonon (el-ph) correlation functions are investigated in all coupling regimes. It is found that the crossover to large effective mass of the higher-dimensional polaron is much sharper than the 1D polaron. The correlation length between the electron and phonons decreases significantly as the dimension increases. Our results compare favorably with those of the quantum Monte Carlo, dynamical mean-field theory, density-matrix renormalization-group, and Toyozawa variational methods. We demonstrate that the Toyozawa wave function is qualitatively correct for the ground-state energy and the two-point electron-phonon correlation functions, but fails for the three-point functions. Based on this finding, we propose an improved Toyozawa variational wave function.

d=3

. Recent approximations based on slave-boson techniques are recovered by the exact evaluation of explicit variational wave functions in $d=\ensuremath{\infty}$.