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The capability of density-functional theory to deal with the ground-state of strongly correlated low-dimensional systems, such as semiconductor quantum dots, depends on the accuracy of functionals developed for the exchange and correlation…
The repulsive interaction between two atoms at short distances is studied in order to explore the range of validity of standard first-principles simulation techniques and improve the available short-range potentials for the description of…
We study the interaction energy between two surfaces, one of them flat, the other describable as the composition of a small-amplitude corrugation and a slightly curved, smooth surface. The corrugation, represented by a spatially random…
Non-adiabatic effects play an important role in many chemical processes. In order to study the underlying non-adiabatic potential-energy surfaces (PESs), we present a locally-constrained density-functional theory approach, which enables us…
Laser speckles have become a fundamental component of the modern optics-research toolbox. Not only are speckle patterns the basis of numerous imaging techniques, but also, they are employed to generate optical potentials for cold atoms and…
Octupole excitations of atomic nuclei can be viewed as fluctuations around an equilibrium shape. These fluctuations in turn can be seen as probes of nuclear matter properties to the extent that the shape changes explore changes in…
The self-consistent random phase approximation (RPA) based on a correlated realistic nucleon-nucleon interaction is used to evaluate correlation energies in closed-shell nuclei beyond the Hartree-Fock level. The relevance of contributions…
The effects of short range correlations in lepton and hadron scattering off nuclei at medium and high energies are discussed.
Reliable predictions of surface chemical reaction energetics require an accurate description of both chemisorption and physisorption. Here, we present an empirical approach to simultaneously optimize semi-local exchange and non-local…
Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…
We devise a nonlocal correlation energy functional that describes the entire range of dispersion interactions in a seamless fashion using only the electron density as input. The new functional is considerably simpler than its predecessors…
A study of the effects of short-range correlations over the (e,e'p) reaction for low missing energy in closed shell nuclei is presented. We use correlated, quasi-hole overlap functions extracted from the asymptotic behavior of the one-body…
Dynamical correlations and non-local contributions beyond static mean-field theories are of fundamental importance for describing the electronic structure of correlated metals. Their effects are usually described with many-body approaches…
We report extensive first-principles calculations of the inelastic lifetime of low-energy electrons in the noble metals Cu, Ag, and Au. The quasiparticle self-energy is computed with full inclusion of exchange and correlation (xc) effects,…
The effect of dynamical short-range correlations on the generalized momentum distribution $n(\vec{p},\vec{Q})$ in the case of $Z=N$, $\ell$-closed shell nuclei is investigated by introducing Jastrow-type correlations in the…
The "density-density" correlation function of conduction electrons in metal is investigated. It is shown, that the asymptotic behaviour of the CF depends on the shape and the local geometry of the Fermi surface. In particular, the exponent…
We use the exact correlation function of the density of energy levels in the magnetic field to evaluate persistent currents in mesoscopic metals. We also analyze the perturbation theory limit of the correlation function vis-a-vis the…
Recent results concerning the use of the Correlated Basis Function to investigate the ground state properties of medium-heavy doubly magic nuclei with microscopic interactions are presented. The calculations have been done by considering a…
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…
We consider the correlation functions in a gas of electrons moving within a thin layer on the surface of nanosize sphere. A closed form of expressions for the RKKY indirect exchange, superconducting Cooper loop and `density-density'…