Chebyshev matrix product state impurity solver for dynamical mean-field theory

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

1 Arnold Sommerfeld Center for Theoretical Physics
2 Centre for Engineered Quantum Systems
3 IPHT - Institut de Physique Théorique - UMR CNRS 3681

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 trun-cation 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]

F. Alexander Wolf, Ian P. Mcculloch, Olivier Parcollet, Ulrich Schollwöck. Chebyshev matrix product state impurity solver for dynamical mean-field theory. Biophysical Reviews and Letters, 2014, 90, pp.115124. ⟨10.1103/PhysRevB.90.115124⟩. ⟨cea-01232791⟩