A Fast Impurity Solver Based on Gutzwiller variational approach

Details A Fast Impurity Solver Based on Gutzwiller variational approach A Fast Impurity Solver Based on Gutzwiller variational approach

2008-10-14

arxiv.org/abs/0810.2385v3

Phys. Rev. B 79, 165114 (2009)

Physics

Condensed Matter

Strongly Correlated Electrons

29 pages, 14 figures

Scientific paper

10.1103/PhysRevB.79.165114

A fast impurity solver for the dynamical mean field theory(DMFT) named Two Mode Approxi- mation (TMA) is proposed based on the Gutzwiller variational approach, which captures the main features of both the coherent and incoherent motion of the electrons. The new solver works with real frequency at zero temperature and it provides directly the spectral function of the electrons. It can be easily generalized to multi-orbital impurity problems with general on-site interactions, which makes it very useful in LDA+DMFT. Benchmarks on one and two band Hubbard models are presented, and the results agree well with those of Exact Diagonalization (ED).

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