Chebyshev Matrix Product State Impurity Solver for the Dynamical Mean-Field Theory

F. Alexander Wolf , Ian P. Mcculloch (1) , Olivier Parcollet (2) , Ulrich Schollwöck (3)

1 Centre for Engineered Quantum Systems
2 SPhT - Service de Physique Théorique
3 Department of Physics and Arnold Sommerfeld Center for Theoretical Physics

We compute the spectral functions for the two-site dynamical cluster theory and for the two-orbital dynamical mean-field theory in the density-matrix renormalization group (DMRG) framework using Chebyshev expansions represented with matrix product states (MPS). We obtain quantitatively precise results at modest computational effort through technical improvements regarding the truncation scheme and the Chebyshev rescaling procedure. We furthermore establish the relation of the Chebyshev iteration to real-time evolution, and discuss technical aspects as computation time and implementation in detail.

Domains: Physics [physics]; Condensed Matter [cond-mat]; Other [cond-mat.other]

F. Alexander Wolf, Ian P. Mcculloch, Olivier Parcollet, Ulrich Schollwöck. Chebyshev Matrix Product State Impurity Solver for the Dynamical Mean-Field Theory. 2014. ⟨cea-01058819⟩