scholarly journals Dynamical mean-field theory using Wannier functions: A flexible route to electronic structure calculations of strongly correlated materials

2006 ◽  
Vol 74 (12) ◽  
Author(s):  
F. Lechermann ◽  
A. Georges ◽  
A. Poteryaev ◽  
S. Biermann ◽  
M. Posternak ◽  
...  
Keyword(s):  
Field Theory ◽  
Electronic Structure ◽  
Mean Field Theory ◽  
Mean Field ◽  
Electronic Structure Calculations ◽  
Dynamical Mean Field Theory ◽  
Strongly Correlated ◽  
Wannier Functions ◽  
Strongly Correlated Materials ◽  
Structure Calculations

scholarly journals Electronic structure calculations with dynamical mean-field theory

2006 ◽  
Vol 78 (3) ◽  
pp. 865-951 ◽  
Author(s):  
G. Kotliar ◽  
S. Y. Savrasov ◽  
K. Haule ◽  
V. S. Oudovenko ◽  
O. Parcollet ◽  
...  
Keyword(s):  
Field Theory ◽  
Electronic Structure ◽  
Mean Field Theory ◽  
Mean Field ◽  
Electronic Structure Calculations ◽  
Dynamical Mean Field Theory ◽  
Structure Calculations

scholarly journals EQUATION-OF-MOTION APPROACH TO DYNAMICAL MEAN FIELD THEORY

2006 ◽  
Vol 20 (25) ◽  
pp. 1629-1636 ◽  
Author(s):  
JIAN-XIN ZHU ◽  
R. C. ALBERS ◽  
J. M. WILLS
Keyword(s):  
Field Theory ◽  
Mean Field Theory ◽  
Mean Field ◽  
Bethe Lattice ◽  
Equation Of Motion ◽  
Spectral Weight ◽  
Dynamical Mean Field Theory ◽  
Strongly Correlated ◽  
Strongly Correlated Materials ◽  
Weight Transfer

We propose using an equation-of-motion approach as an impurity solver for dynamical mean field theory. As an illustration of this technique, we consider a finite-U Hubbard model defined on the Bethe lattice with infinite connectivity at arbitrary filling. Depending on the filling, the spectra that is obtained exhibits a quasiparticle peak, and lower and upper Hubbard bands as typical features of strongly correlated materials. The results are also compared and in good agreement with exact diagonalization. We also find a different picture of the spectral weight transfer than the iterative perturbation theory.

Sign in / Sign up

Export Citation Format

Share Document