Related papers: Electrons in High-Tc Compounds: Ab-Initio Correlat…
We present a wavefunction-based approach to correlated ab initio calculations on crystalline insulators of infinite extent. It uses the representation of the occupied and the unoccupied (virtual) single-particle states of the infinite solid…
The top quark decays before it hadronizes. Before its spin state can be changed in a process of strong interaction, it is directly transferred to the top quark decay products. The top quark spin can be deduced by studying angular…
In this work we demonstrate that the heat bath configuration interaction (HCI) and its semistochastic extension can be used to treat relativistic effects and electron correlation on an equal footing in large active spaces to calculate the…
The interface electronic structure of correlated LaTiO$_3$/SrTiO$_3$ superlattices is investigated by means of the charge self-consistent combination of the local density approximation (LDA) to density functional theory (DFT) with dynamical…
Electronic correlations and spin-orbit interactions in plutonium create variations in the bonding behavior of each of its allotropes. In $\delta$-Pu, the 5f electrons lie at the tipping point between itinerant and localized behavior which…
We introduce the boundary effect on the ground state as an attribute of general local spin systems that restricts the correlations in the ground state. To this end, we introduce what we call a boundary effect function, which characterises…
The correlation functions of one-dimensional Hubbard model in the presence of external magnetic field was investigated through the conformal field technique. The long distance behaviour of the correlation functions and their critical…
We study effects of electron-electron interactions on the steady-state characteristics of a hexagonal molecular ring in a magnetic field, as a model for a benzene molecular junction. The system is driven out of equilibrium by applying a…
The puzzling electronic correlation effects in the sodium cobaltate system are studied by means of the combination of density functional theory and the rotationally invariant slave boson (RISB) method in a cellular-cluster approach.…
In order to trace the initial interaction in ultra-relativistic heavy ion collision in all azimuthal directions, two azimuthal multiplicity-correlation patterns -- neighboring and fixed-to-arbitrary angular-bin correlation patterns -- are…
We study magnetic traps with very high trap frequencies where the spin is coupled to the motion of the atom. This allows us to investigate how the Born-Oppenheimer approximation fails and how effective magnetic and electric fields appear as…
Intermediate valence compounds containing rare earth or actinide ions are archetypal systems for the investigation of strong electron correlations. Their effective electron masses of 10 to 50 times the free electron mass result from a…
We present a novel theory and implementation for computing coupled electronic and quantal nuclear subsystems on a single potential energy surface, moving beyond the standard Born-Oppenheimer (BO) separation of nuclei and electrons. We…
Magnetic and superconducting pairing correlation functions in a general class of Hubbard models, the t-J model and a single-band Hubbard model with additional bond-charge interaction are investigated, respectively. Some rigorous upper…
The effective electron-electron interaction in the electron gas depends on both the density and spin local field factors. Variational Diagrammatic Quantum Monte Carlo calculations of the spin local field factor are reported and used to…
The determination of the effective Coulomb interactions to be used in low-energy Hamiltonians for materials with strong electronic correlations remains one of the bottlenecks for parameter-free electronic structure calculations. We propose…
We present a numerical study of the doping dependence of the spectral function of the n-type cuprates. Using a variational cluster-perturbation theory approach based upon the self-energy-functional theory, the spectral function of the…
We investigate the ground state properties of a lattice trapped bosonic system coupled to a Lieb-Liniger type gas. Our main goal is the description and in depth exploration and analysis of the two-species many-body quantum system including…
Interacting electrons in a semiconductor quantum dot at strong magnetic fields exhibit a rich set of states, including correlated quantum fluids and crystallites of various symmetries. We develop in this paper a perturbative scheme based on…
Coupled semiconductor quantum dots form artificial molecules where relevant energy scales controlling the interacting ground state can be easily tuned. By applying an external magnetic field it is possible to drive the system from a weak to…