DCore: Integrated DMFT software for correlated electrons

Strongly correlated electrons

Adiabatic connection for strictly correlated electrons.

Modern density functional theory (DFT) calculations employ the Kohn-Sham system of noninteracting electrons as a reference, with all complications buried in the exchange-correlation energy (E(XC)). The adiabatic connection formula gives an exact expression for E(XC). We consider DFT calculations that instead employ a reference of strictly correlated electrons. We define a "decorrelation energy"...

Effective lattice actions for correlated electrons.

We present an exact, unconstrained representation of the electron operators in terms of operators of opposite statistics. We propose a path–integral representation for the t-J model and introduce a parameter controlling the semiclassical behaviour. We extend the functional approach to the Hubbard model and show that the mean–field theory is equivalent to considering, at Hamiltonian level, the F...

Strongly Correlated Electrons in Solids

Most emergent properties of the materials discovered since the 1980s are related to the existence of electronelectron interactions which are large with respect to the kinetic energies and could not be thoroughly studied before. The occurrence of metal insulator transitions, of exotic magnetic and/or superconducting properties in many new compounds have stimulated a large series of experimental ...

Realistic investigations of correlated electron systems with LDA + DMFT

K. Held , I. A. Nekrasov, G. Keller, V. Eyert, N. Blümer, A. K. McMahan, R. T. Scalettar, Th. Pruschke, V. I. Anisimov, and D. Vollhardt 1 Max-Planck Institute for Solid State Research, 70569 Stuttgart, Germany 2 Institute of Metal Physics, Russian Academy of Sciences – Ural Division, Yekaterinburg GSP-170, Russia 3 Theoretical Physics III, Center for Electronic Correlations and Magnetism, Inst...