Related papers: The many-body exchange-correlation hole at metal s…
We study non-linear adiabatic connection paths in density-functional theory using modified electron-electron interactions that perform a long-range/short-range separation of the Coulomb interaction. These adiabatic connections allows to…
The problem of continuum percolation in dispersions of rods is reformulated in terms of weighted random geometric graphs. Nodes (or sites or vertices) in the graph represent spatial locations occupied by the centers of the rods. The…
The response functions for the unpolarized $(e,e'p)$ and polarized $(\vec{e},e'p)$ reaction are calculated for medium-heavy nuclei under quasifree conditions. The formalism presented here incorporates two-body currents related to…
The electronic structure of Na$_x$CoO$_2$ revealed by recent photoemission experiments shows important deviations from band theory predictions. The six small Fermi surface pockets predicted by LDA calculations have not been observed as the…
Although free electron models have been established in order to capture the essential physics of interfacial and bulk properties in metals, some issues still remain regarding the application of free electron models to thin metal films. One…
We build a microscopic model to study the intra- and inter-layer superexchange due to electrons hopping in chromium trihalides ($\mathrm{CrX}_3$, X= Cl, Br, and I). In evaluating the superexchange, we identify the relevant intermediate…
The exchange-correlation potential experienced by an electron in the free space adjacent to a solid surface or to a low-dimensional system defines the fundamental image states and is generally important in surface- and nano-science. Here we…
In electronic structure calculations, the correlation energy is defined as the difference between the mean field and the exact solution of the non relativistic Schr\"odinger equation. Such an error in the different calculations is not…
Effects of electron correlation on the electronic structure and magnetic properties of the Gd(0001) surface are investigated using of the full-potential linearized augmented plane wave implementation of correlated band theory ("LDA+U"). The…
An accurate determination of the electron correlation energy is essential for describing the structure, stability, and function in a wide variety of systems, ranging from gas-phase molecular assemblies to condensed matter and…
We study the ionic distribution near a charged surface. A new method for performing Monte Carlo simulations in this geometry is discussed. A theory is then presented that allows us to accurately reproduce the density profiles obtained in…
We investigate many body localization in the presence of a single particle mobility edge. By considering an interacting deterministic model with an incommensurate potential in one dimension we find that the single particle mobility edge in…
The characterization of many-body correlations provides a powerful tool for analyzing correlated quantum materials. However, experimental extraction of quantum entanglement in correlated electronic systems remains an open problem in…
The interaction of a bulk electron with conducting surfaces is studied by means of Bohm-Pines transformation in the second quantization formalism. The effective interaction potentials are obtained for the case of one plane and two plane…
We theoretically study the effect of electron-electron interactions in one-dimensional partially mixed helical states. These helical states can be realized at the edges of two-dimensional topological insulators with partially broken…
We explore different variants of the random phase approximation (RPA) to the correlation energy derived from closed-shell ring-diagram approximations to coupled cluster doubles theory. We implement these variants in range-separated…
Collective excitations of rotating dusty plasma are analyzed under the quasi localized charge approximation (QLCA) framework for strongly coupled systems by explicitly accounting for the dust rotation in the analysis. Considering the firm…
We study the characteristics of correlation between particles in jets produced in heavy-ion collisions. In the framework of parton recombination we calculate the $\eta$ and $\phi$ distributions of a pion associated with a trigger particle.…
We investigate the behavior of three-dimensional (3D) exchange-correlation energy functional approximations of density functional theory in anisotropic systems with two-dimensional (2D) character. Using two simple models, quasi-2D electron…
The ladder theory, in which the Bethe-Goldstone equation for the effective potential between two scattering particles plays a central role, is well known for its satisfactory description of the short-range correlations in the homogeneous…