Related papers: Ab initio description of bcc iron with correlation…
We study the Dirac equation with slowly varying external potentials. Using matrix-valued Wigner functions we prove that the electron follows with high precision the classical orbit and that the spin precesses according to the BMT equation…
Electron correlation and higher-order relativistic effects are probed in the evaluation of scalar and tensor static electric dipole (E1) polarizabilities ($\alpha_d$) of several even- and odd-parity states in cesium (Cs) using the…
Electronic correlations in the ground state of an idealized infinite-layer high-Tc compound are computed using the ab-initio method of local ansatz. Comparisons are made with the local-density approximation (LDA) results, and the…
A systematic ab-initio study within the framework of the local-spin-density approximation including spin-orbit coupling and an orbital-polarization term is performed for the spin and orbital moments and for the X-ray magnetic circular…
This work explores a simple approximation to describe isolated impurity scattering in a strongly correlated metal. The approximation combines conventional one electron scattering theory and the Dynamic Mean Field Theory to describe strong…
We present theoretical results on the high-temperature phase stability and phonon spectra of paramagnetic bcc iron which explicitly take into account many-body effects. Several peculiarities, including a pronounced softening of the [110]…
Motivated by the important role of the normalized second order coherence function, often called $g^{(2)}$, in the field of quantum optics, we propose a method to determine magnon coherence in solid-state devices. Namely, we show that the…
The density matrix renormalization group (DMRG) of White 1992 remains to this day an integral component of many state-of-the-art methods for efficiently simulating strongly correlated quantum systems. In quantum chemistry, QC-DMRG became a…
A novel method for mapping the local spin and orbital nature of the ground state of a system via corresponding flip excitations in both sectors is proposed based on angle resolved resonant photoemission and related diffraction patterns,…
The quantitative description of correlated electron materials remains a modern computational challenge. We demonstrate a numerical strategy to simulate correlated materials at the fully ab initio level beyond the solution of effective…
The paper critically overviews the recent developments of the theory of spin fluctuations (SF) in itinerant electron magnetism with particular emphasis on spin-fluctuation coupling or spin anharmonicity. It is argued that the conventional…
We investigate the topology of the spin-polarized charge density in bcc and fcc iron. While the total spin-density is found to possess the topology of the non-magnetic prototypical structures, in some cases the spin-polarized densities are…
We present improvements of a recently introduced numerical method [Arrigoni etal, Phys. Rev. Lett. 110, 086403 (2013)] to compute steady state properties of strongly correlated electronic systems out of equilibrium. The method can be…
Despite the intrinsic coupling between electric and magnetic fields in random stationary light, their polarization properties are not mutually determined. A complete second-order description thus necessitates a joint electromagnetic…
Electrical control of spin polarization is very desirable in spintronics, since electric field can be easily applied locally in contrast with magnetic field. Here, we propose a new concept of bipolar magnetic semiconductor (BMS) in which…
The leading-order electron-atom bremsstrahlung is investigated within the rigorous relativistic approach based on the partial-wave representation of the Dirac wave functions in the external atomic field. Approximating the atomic target by…
In this thesis we study the strongly-correlated-electron physics of the longstanding H-Tc-superconductivity problem using a non-perturbative method, the Dynamical Mean Field Theory (DMFT), capable to go beyond standard perturbation-theory…
An ab initio approach formulated under an entropy-inspired repartitioning of the electronic Hamiltonian is presented. This ansatz produces orbital eigenvalues each shifted by entropic contributions expressed as subsets of scaled pair…
Chirality and topology are intimately related fundamental concepts, which are heavily explored to establish spin-textures as potential magnetic bits in information technology. However, this ambition is inhibited since electrical reading of…
We introduce a systematic low-energy approach to strongly correlated electron systems in infinite dimensions, and apply it to the problem of the correlation-induced metal-insulator transition in the half-filled Hubbard model. We determine…