Results from ED benchmark calculations with the w2dynamics CT-HYB solver

The ED DMFT calculations and generation of impurity problem input data were performed using the scripts found in this repository.

Benchmark results

For all examples, the inter-orbital interaction parameter for different spins is U' = U - 2J and the inverse temperature beta = 100 if not otherwise specified.

Two-orbital calculations

For all two-orbital examples, 5 bath sites per orbital were used in the ED DMFT calculations.

• Bethe lattice half-bandwidths [1.0, 1.0], local levels [0.0, 0.0], density interaction with Hubbard U = 1.0 and Hund's coupling J = 0.25, chemical potential mu = 0.875 here

• Bethe lattice half-bandwidths [1.0, 1.0], local levels [0.0, 0.0], Kanamori interaction with Hubbard U = 1.0 and Hund's coupling J = 0.25, chemical potential mu = 0.875 here

• Bethe lattice half-bandwidths [1.0, 1.0], local levels [0.0, 0.0], density interaction with Hubbard U = 1.0 and no Hund's coupling, chemical potential mu = 0.5 here

• Bethe lattice half-bandwidths [1.0, 1.0], local levels [0.0, 0.0], density interaction with Hubbard U = 8.0 and Hund's coupling J = 2.0, chemical potential mu = 7.0 here

• Bethe lattice half-bandwidths [1.0, 1.0], local levels [0.0, 0.0], density interaction with Hubbard U = 8.0 and no Hund's coupling, chemical potential mu = 4.0 here

• Bethe lattice half-bandwidths [1.0, 1.0], local levels [0.0, 0.0], density interaction with Hubbard U = 1.55 and Hund's coupling J = 0.3875, chemical potential mu = 1.6 here

• Bethe lattice half-bandwidths [1.0, 2.0], local levels [0.0, 1.5], density interaction with Hubbard U = 5.0 and Hund's coupling J = 1.25, chemical potential mu = 4.0 here

• Bethe lattice half-bandwidths [1.0, 2.0], local levels [0.0, 1.5], density interaction with Hubbard U = 5.0 and no Hund's coupling, chemical potential mu = 2.538 here

• Bethe lattice half-bandwidths [2.0, 4.0], local levels [0.0, 0.0], density interaction with Hubbard U = 1.0 and Hund's coupling J = 0.25, chemical potential mu = 0.875 here

• Bethe lattice half-bandwidths [2.0, 4.0], local levels [0.0, 0.0], density interaction with Hubbard U = 1.0 and no Hund's coupling, chemical potential mu = 0.5 here

• Bethe lattice half-bandwidths [2.0, 4.0], local levels [0.0, 0.0], density interaction with Hubbard U = 8.0 and Hund's coupling J = 2.0, chemical potential mu = 7.0 here

• Bethe lattice half-bandwidths [2.0, 4.0], local levels [0.0, 0.0], Kanamori interaction with Hubbard U = 8.0 and Hund's coupling J = 2.0, chemical potential mu = 7.0 here

• Bethe lattice at beta = 10, half-bandwidths [2.0, 4.0], local levels [0.0, 0.0], Kanamori interaction with Hubbard U = 8.0 and Hund's coupling J = 2.0, chemical potential mu = 7.0 here

• Bethe lattice half-bandwidths [2.0, 4.0], local levels [0.0, 0.0], density interaction with Hubbard U = 8.0 and no Hund's coupling, chemical potential mu = 4.0 here

• Bethe lattice half-bandwidths [0.75, 1.25], local levels [0.5, 0.0], density interaction with Hubbard U = 1.55 and Hund's coupling J = 0.3875, chemical potential mu = 1.7 here

Three-orbital calculations

For all three-orbital examples, 3 bath sites per orbital were used in the ED DMFT calculations.

• Bethe lattice half-bandwidths [1.0, 1.0, 1.0], local levels [0.0, 0.0, 0.0], density interaction with Hubbard U = 1.0 and Hund's coupling J = 0.25, chemical potential mu = 1.25 here

• Bethe lattice half-bandwidths [1.0, 1.0, 1.0], local levels [0.0, 0.0, 0.0], density interaction with Hubbard U = 5.0 and Hund's coupling J = 1.25, chemical potential mu = 6.25 here

• Bethe lattice half-bandwidths [2.0, 2.0, 4.0], local levels [0.0, 0.0, 0.0], density interaction with Hubbard U = 1.0 and Hund's coupling J = 0.25, chemical potential mu = 1.25 here

• Bethe lattice half-bandwidths [2.0, 2.0, 4.0], local levels [0.0, 0.0, 0.0], density interaction with Hubbard U = 5.0 and Hund's coupling J = 1.25, chemical potential mu = 6.25 here

• Bethe lattice half-bandwidths [2.0, 2.0, 4.0], local levels [0.0, 0.0, 0.0], Kanamori interaction with Hubbard U = 1.0 and Hund's coupling J = 0.25, chemical potential mu = 1.25 here

• Bethe lattice half-bandwidths [1.0, 2.0, 4.0], local levels [0.0, 0.0, 0.0], Kanamori interaction with Hubbard U = 5.0 and Hund's coupling J = 1.25, chemical potential mu = 6.25 here

• Bethe lattice half-bandwidths [2.5, 3.0, 3.5], local levels [1.0, 0.5, 0.0], density interaction with Hubbard U = 4.0 and Hund's coupling J = 1.0, chemical potential mu = 5.00 here

• Bethe lattice half-bandwidths [2.5, 3.0, 3.5], local levels [1.0, 0.5, 0.0], Kanamori interaction with Hubbard U = 4.0 and Hund's coupling J = 1.0, chemical potential mu = 5.00 here