Related papers: Finite-Size Corrections to Defect Energetics along…
We describe a non-perturbative method for computing the energy band structures of one-dimensional models with general point potentials sitting at equally spaced sites. This is done thanks to a Bethe ansatz approach and the method is…
In recent experiments on nanoscale Al particles, whose electron number was fixed by charging effects, a ``negative gap'' was observed in particles with an odd number of electrons. This observation has called into question the use of a grand…
Calculating opacities for a wide range of plasma conditions (i.e. temperature, density, element) requires detailed knowledge of the plasma configuration space and electronic structure. For plasmas composed of heavier elements, relativistic…
We derive exact relations for $N$ spin-1/2 fermions with zero-range or short-range interactions, in continuous space or on a lattice, in $2D$ or in $3D$, in any external potential. Some of them generalize known relations between energy,…
For the kinetic energy of 1d model finite systems the leading corrections to local approximations as a functional of the potential are derived using semiclassical methods. The corrections are simple, non-local functionals of the potential.…
Configuration mixing calculations performed in terms of the Skyrme/Gogny Energy Density Functional (EDF) rely on extending the Single-Reference energy functional into non-diagonal EDF kernels. The standard way to do so, based on an analogy…
We analyse the finite-size corrections to the free energy of crystals with a fixed center of mass. When we explicitly correct for the leading ($\ln N/N$) corrections, the remaining free energy is found to depend linearly on 1/N.…
The density functional theory (DFT) is used in a study of point defects on both UN (001) surface and sub-surface layers. We compare results for slabs of different thicknesses (both perfect and containing nitrogen or uranium vacancies) with…
We combine the BCS self-consistency condition, a semiclassical expansion for the spectral density and interaction matrix elements to describe analytically how the superconducting gap depends on the size and shape of a 2d and 3d…
Non-uniform structures of mixed phases at the first-order phase transition to charged kaon condensation are studied using a density functional theory within the relativistic mean field model. Including electric field effects and applying…
The formation and electronic properties of nitrogen-related defect complexes in $\beta-Ga_2O_3$ are investigated using first-principles calculations. Starting from the energetically favorable $N_{i9}-N_{OI}$ configuration, nitrogen atoms…
We propose a local real-space formulation for orbital-free DFT with density dependent kinetic energy functionals and a unified variational framework for computing the configurational forces associated with geometry optimization of both…
Topological defects play a fundamental role in the investigation of symmetries in quantum field theories. For conformal field theories in two space-time dimensions, it is possible to construct these defects using lattice models allowing…
This paper presents first principles calculations of paramagnetic cubic CrN$_x$ with the aim to provide deeper insight into recently published transmission electron microscopy-based study on this material. Among several types of point…
The calculation of self-energy corrections to the electron bands of a metal requires the evaluation of the intraband contribution to the polarizability in the small-q limit. When neglected, as in standard GW codes for semiconductors and…
In this work we introduce a procedure to find localized structures with finite energy. We start dealing with global monopoles, and add a new contribution to the potential of the scalar fields, to balance the contribution of the angular…
Photonic or electronic confinement effects in nanostructures become significant when one of their dimension is in the 5-300 nm range. Improving their development requires the ability to study their structure - shape, strain field,…
In this work, we present expressions for the full effective potential corresponding to the one-photon exchange interaction within the framework of an effective Schr\"{o}dinger-like equation, which is derived exactly from the Bethe-Salpeter…
Unitarity corrections to the BFKL description of high energy hard scattering are viewed in large $N_c$ QCD in light-cone quantization. In a center of mass frame unitarity corrections to high energy hard scattering are manifestly…
The effect of the finite system size on the QCD phase diagram was studied with various momentum space constraints within a mean-field quark-meson model. On the one hand side, the choice of the scenario -- low-momentum cutoff and…