Related papers: Orbital Collapse in Exotic Atoms and Its Effect on…
In positive muon spin rotation and relaxation spectroscopy it is becoming nowadays customary to take advantage of Density Functional Theory (DFT) based computational methods to aid the experimental data analysis. DFT aided muon site…
We describe current experimental and theoretical understanding of the pressure-induced volume collapse transitions occurring in the early trivalent rare earth metals. General features of orbitally realistic mean-field based theories used to…
We present a fully quantum mechanical theory to study the effects of deformation on various reaction observables in the Coulomb breakup of neutron rich exotic medium mass nuclei on heavy targets within the framework of finite range…
We employ dynamical mean-field theory (DMFT) combined with density functional theory (DFT) and the non-equilibrium Green's function technique to investigate the steady-state transport properties of an Fe/MgO/Fe magnetic tunnel junction…
Relativistic $^{238}$U+$^{238}$U collisions have recently been used to extract the quadrupole shape of $^{238}$U. In this study, we employ state-of-the-art three-dimensional (3D) lattice covariant density functional theory (CDFT) with…
Motivated by a collection of experimental results indicating the strongly correlated nature of the ferromagnetic metallic state of $CrO_{2}$, we present results based on a combination of the actual bandstructure [3] with dynamical…
We propose a hybrid approach which employs the dynamical mean-field theory (DMFT) self-energy for the correlated, typically rather localized orbitals and a conventional density functional theory (DFT) exchange-correlation potential for the…
We present time-dependent density functional theory (TDDFT) calculations for single and dimerized Coumarin-343 molecules in order to investigate the quantum mechanical effects of chromophore aggregation in extended systems designed to…
The sensitivity of Density Functional Theory plus Dynamical Mean Field Theory calculations to different constructions of the correlated orbitals is investigated via a detailed comparison of results obtained for the quantum material…
We study the single-particle properties of a system formed by ultracold atoms loaded into the manifold of $l=1$ Orbital Angular Momentum (OAM) states of an optical lattice with a diamond chain geometry. Through a series of successive basis…
We employ cluster extension of dynamical mean-field theory (CDMFT) to systematically investigate the impact of double counting corrections on the correlated electronic structure of ${\rm La_3Ni_2O_7}$ under ambient pressure. By adjusting…
The quantum-mechanical collapse (alias fall onto the center of particles attracted by potential -1/r^2), or "quantum anomaly", is a well-known issue in the quantum theory. We demonstrate that the mean-field repulsive nonlinearity prevents…
We address the issue of resilience of the Atlantic Meridional Overturning Circulation (AMOC) given the many indications that this dynamical system is in a multi-stable regime. A novel approach to resilience based on rare event techniques is…
In the present paper, we study the uncertainties in modeling the collision of complex nuclei (heavy ions) resulting in capture of the nuclei into orbital motion. The effective interaction energy of the nuclei (effective potential) consists…
We report a detail theoretical study of the electronic structure and phase stability of transition metal oxides MnO, FeO, CoO, and NiO in their paramagnetic cubic B1 structure by employing dynamical mean-field theory of correlated electrons…
Low-energy muon-transfer cross sections and rates in collisions of muonic atoms with hydrogen isotopes are calculated using a six-state close-coupling approximation to coordinate-space Faddeev-Hahn-type equations. In the muonic case…
The Weakly Interacting Massive Particle (WIMP) paradigm is one of the most popular scenarios for Dark Matter (DM) theories that however is strongly constrained, in particular by direct detection experiments. We stick with the WIMP…
Density functional theory (DFT), including its extensions designed to treat strongly correlated localized electron systems such as DFT+$U$ and DFT+dynamical mean field theory, has proven exceedingly useful in studying the magnetic…
We consider a model of strongly correlated $e_g$ electrons interacting by superexchange orbital interactions in the ferromagnetic phase of LaMnO$_3$. It is found that the classical orbital order with alternating occupied $e_g$ orbitals has…
Leading order ($\alpha^4$) finite size corrections in muonic deuterium are evaluated within a few body formalism for the $\mu^- p n$ system in muonic deuterium and found to be sensitive to the input of the deuteron wave function. We show…