We introduce a versatile method to compute electronic steady-state properties of strongly correlated extended quantum systems out of equilibrium. The approach is based on dynamical mean-field theory (DMFT), in which the original system is mapped onto an auxiliary nonequilibrium impurity problem imbedded in a Markovian environment. The steady-state Green's function of the auxiliary system is sol...

We introduce the density matrix renormalization group (DMRG) method as an efficient computational tool for one-exciton approximations with off-diagonal disorder. This method allows us to reduce the computational effort by targetting only a few low-lying eigenstates at each statistical samplings, in contrast to the exact diagonalization methods that compute the whole spectrum. As an application ...

Modern ab initio and multiscale methods enable the simulation of vibrational properties of very large molecules. Within the harmonic approximation, the traditional generation of the spectra based on the force field diagonalization can become inefficient due to the excessive demands on computer time and memory. The present study proposes to avoid completely the matrix diagonalization with a dire...

In this paper, the electronic eigenstates and energy spectra of single and two-interacting electrons confined in a concentric double quantum rings with a perpendicular magnetic field in the presence of         on-center donor and acceptor impurities are calculated using the exact diagonalization method. For a single electron case, the binding energy of on-center donor and acceptor impurities ar...

The calculation of twoand four-particle observables is addressed within the framework of the truncated polynomial expansion method (TPEM). The TPEM replaces the exact diagonalization of the one-electron sector in models for fermions coupled to classical fields such as those used in manganites and diluted magnetic semiconductors. The computational cost of the algorithm is O(N) – with N the numbe...