We develop and apply the novel computational scheme LDA+DMFT to study materials with
correlated electrons from first principles. LDA+DMFT is based on a combination of conventional
band-structure methods, e.g., the local density approximation (LDA),
with the dynamical mean-field theory (DMFT) for correlated electron systems.
This allows us to capture quantum-mechanical and thermal spin, charge and orbital
fluctuations and describe correlation driven metal-insulator transitions or
formation of various types of long-range order, e.g. The full text >>