Krylov implementation of the hybridization expansion impurity solver and application to 5-orbital models

Details Krylov implementation of the hybridization expansion impurity solver and application to 5-orbital models Krylov implementation of the hybridization expansion impurity solver and application to 5-orbital models

2009-08-05

arxiv.org/abs/0908.0681v2

Phys. Rev. B 80, 235117 (2009)

Physics

Condensed Matter

Strongly Correlated Electrons

8 pages, 6 figures

Scientific paper

10.1103/PhysRevB.80.235117

We present an implementation of the hybridization expansion impurity solver which employs sparse matrix exact-diagonalization techniques to compute the time evolution of the local Hamiltonian. This method avoids computationally expensive matrix-matrix multiplications and becomes advantageous over the conventional implementation for models with 5 or more orbitals. In particular, this method will allow the systematic investigation of 7-orbital systems (lanthanide and actinide compounds) within single-site dynamical mean field theory. We illustrate the power and usefulness of our approach with dynamical mean field results for a 5-orbital model which captures some aspects of the physics of the iron based superconductors.

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