Benchmark of a modified Iterated Perturbation Theory approach on the 3d FCC lattice at strong coupling

Details Benchmark of a modified Iterated Perturbation Theory approach on the 3d FCC lattice at strong coupling Benchmark of a modified Iterated Perturbation Theory approach on the 3d FCC lattice at strong coupling

2012-02-27

arxiv.org/abs/1202.5814v2

Physics

Condensed Matter

Strongly Correlated Electrons

17 pages, 15 figures, minor changes to improve clarity

Scientific paper

The Dynamical Mean-Field theory (DMFT) approach to the Hubbard model requires a method to solve the problem of a quantum impurity in a bath of non-interacting electrons. Iterated Perturbation Theory (IPT) has proven its effectiveness as a solver in many cases of interest. Based on general principles and on comparisons with an essentially exact Continuous-Time Quantum Monte Carlo (CTQMC) solver, here we show that the standard implementation of IPT fails away from half-filling when the interaction strength is much larger than the bandwidth. We propose a slight modification to the IPT algorithm that replaces one of the equations by the requirement that double occupancy calculated with IPT gives the correct value. We call this method IPT-$D$. We recover the Fermi liquid ground state away from half-filling. The Fermi liquid parameters, density of states, chemical potential, energy and specific heat on the FCC lattice are calculated with both IPT-$D$ and CTQMC as benchmark examples. We also calculated the resistivity and the optical conductivity within IPT-$D$. Particle-hole asymmetry persists even at coupling twice the bandwidth. Several algorithms that speed up the calculations are described in appendices.

Affiliated with

Also associated with

No associations

Rating

Benchmark of a modified Iterated Perturbation Theory approach on the 3d FCC lattice at strong coupling does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Benchmark of a modified Iterated Perturbation Theory approach on the 3d FCC lattice at strong coupling, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Benchmark of a modified Iterated Perturbation Theory approach on the 3d FCC lattice at strong coupling will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-262067