A review of the basic ideas and techniques of the spectral density-functional theory is
presented. This method is currently used for electronic structure calculations of strongly …

Actinide elements produce a plethora of interesting physical behaviors due to the 5 f states.
This review compiles and analyzes progress in the understanding of the electronic and …

The efficient implementation of electronic structure methods is essential for first principles
modeling of molecules and solids. We present here a particularly efficient common …

We implemented the charge self-consistent combination of density-functional theory and
dynamical mean-field theory (DMFT) in two full-potential methods, the augmented plane …

We generalized the recently introduced impurity solver [P. Werner, Phys. Rev. Lett. 97,
076405 (2006)] based on the diagrammatic expansion around the atomic limit and quantum …

We present a numerically exact continuous-time quantum Monte Carlo algorithm for
fermions with a general interaction nonlocal in space-time. The new determinantal grand …

We propose a cellular version of dynamical mean field theory which gives a natural
generalization of its original single-site construction and is formulated in different sets of …

The calculation of the electronic properties of materials is an important task of solid-state
theory, albeit particularly difficult if electronic correlations are strong, eg, in transition metals …

We propose a dynamical mean-field approach for calculating the electronic structure of
strongly correlated materials from first principles. The scheme combines the GW method with …

We describe an efficient quantum embedding framework for realistic ab initio density matrix
embedding theory (DMET) calculations in solids. We discuss in detail the choice of orbitals …