Related papers: Metal Surface Energy: Persistent Cancellation of S…
Electron correlation in cuprates leads to a global constraint $\sum_{\bf k} \Delta_{\bf k} = 0$ on the gap function $\Delta_{\bf k}$ resulting in a gap nodal surface. We give physical arguments supported by numerical results and discuss…
We introduce an approximation to the short-range correlation energy functional with multide-terminantal reference involved in a variant of range-separated density-functional theory. This approximation is a local functional of the density,…
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approximate the exchange-correlation energy of the restricted Kohn-Sham scheme. Our approximation corresponds to a highly non-local density…
Short range correlations are introduced using unitary correlation method in a relativistic approach to the equation of state of the infinite nuclear matter in the framework of the Hartree-Fock approximation. It is shown that the…
We use ab-initio electromagnetic simulations to investigate light absorption by rough surfaces in the context of the formation of laser-induced periodic surface structures. Our approach involves modeling a realistic rough surface using a…
We present a modeling of the nonlinear optical response of a metal surface in order to account for recent experimental results from two-color Sum-Frequency Generation experiments on gold. The model allows calculating the surface and bulk…
Long-range exchange and correlation effects, responsible for the failure of currently used approximate density functionals in describing van der Waals forces, are taken into account explicitly after a separation of the electron-electron…
We extend a previous analysis of spatial correlation functions for classical electromagnetic vector fields near a perfectly conducting boundary [PRE, vol. 73, 036604 (2006)] to the case of an isotropic semi-infinite medium with planar…
The adhesive contact between elastic solids with randomly rough, self affine fractal surfaces is studied by molecular dynamics (MD) simulations. The interfacial binding energy obtained from the simulations of nominally flat and curved…
We develop a diagrammatic approach with local and nonlocal self-energy diagrams, constructed from the local irreducible vertex. This approach includes the local correlations of dynamical mean field theory and long-range correlations beyond.…
We review in this article the influence of surface waves on the thermally excited electromagnetic field. We study in particular the field emitted at subwalength distances of material surfaces. After reviewing the main properties of surface…
The construction of density-functional approximations is explored by modeling the adiabatic connection em locally, using energy densities defined in terms of the electrostatic potential of the exchange-correlation hole. These local models…
Low energy interactions between particles are often characterised by elastic scattering. Just as electrons undergo Thomson scattering with photons, dark matter particles may experience an analogous form of momentum exchange with dark…
We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can extract very accurate ground state wavefunctions as compared…
A revised version of the semilocal exchange-correlation functional [Phys. Rev. Lett. 117, 073001 (2016)] (TM) is proposed by incorporating the modifications to its correlation content obtained from the full high-density second-order…
Different computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C$_2$H$_2$ molecules. The computations are…
The correlation energy of the homogeneous three-dimensional interacting electron gas is calculated using the variational and fixed-node diffusion Monte Carlo methods, with trial functions that include backflow and three-body correlations.…
In this chapter, we provide a review of ground-state Kohn-Sham density-functional theory of electronic systems and some of its extensions, we present exact expressions and constraints for the exchange and correlation density functionals,…
We have extended the validity of the correlation between the surface 3d-core-level shift (SCLS) and the surface d band shift (SDBS) to the entire 4d transition metal series and to the neighboring elements Sr and Ag via accurate…
We show that the expression of the high-density (i.e small-$r_s$) correlation energy per electron for the one-dimensional uniform electron gas can be obtained by conventional perturbation theory and is of the form $\Ec(r_s) = -\pi^2/360 +…