Related papers: The interaction-strength interpolation method for …
We present two methods of calculating the spatial entanglement of an interacting electron system within the framework of density-functional theory. These methods are tested on the model system of Hooke's atom for which the spatial…
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…
The role of exchange-correlation effects in non-equilibrium quantum transport through molecular junctions is assessed by analyzing the IV curve of a generic two-level model using self-consistent many-body perturbation theory (second Born…
We obtain an explicit expression for the multipoint energy correlations of a non solvable two-dimensional Ising models with nearest neighbor ferromagnetic interactions plus a weak finite range interaction of strength $\lambda$, in a scaling…
We demonstrate that in the frame of the random phase approximation with the exchange, which preserves the validity of the precise well known dipole sum rule, the partial contributions for given subshells strongly deviates from the number of…
Interfacial properties of colloid--polymer mixtures are examined within an effective one--component representation, where the polymer degrees of freedom are traced out, leaving a fluid of colloidal particles interacting via polymer--induced…
The effective potential of electron--electron interaction and the two-particle \textquotedblleft density--density\textquotedblright\ correlation function have been calculated for a simple semiinfinite metal making allowance for the…
The role of initial state (ISI) and final state (FSI) ion-ion interactions in heavy-ion double-charge-exchange (DCE) reactions $A(Z,N)\to A(Z\pm 2,N\mp 2)$ are studied for double single-charge-exchange (DSCE) reactions given by sequential…
Within the framework of quantization of the macroscopic electromagnetic field, a master equation describing both the resonant dipole-dipole interaction (RDDI) and the resonant atom-field interaction (RAFI) in the presence of dispersing and…
In all applications of Density Functional Theory there is always a degree of one-electron self-interaction error (SIE). Here, we propose a simple self-interaction correction by applying an effective core potential (ECP) that replaces no…
Exchange interaction strongly influences the long-range behaviour of localised electron orbitals and quantum tunneling amplitudes. It violates the oscillation theorem (creates extra nodes) and produces a power-law decay instead of the usual…
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…
Based on a microscopic model, we use a functional integral approach to evaluate the quantum interaction energy between two neutral atoms. Each atom is coupled to the electromagnetic (EM) field via a dipole term, generated by an electron…
We present a fully variational locally scaled self-interaction corrected (SIC) energy functional using complex optimal orbitals. This represents an important milestone for fully variational SIC energy functionals, which have been shown to…
We investigate the two-particle intensity correlation function of $\Lambda$ in relativistic heavy-ion collisions. We find that the behavior of the $\Lambda\Lambda$ correlation function at small relative momenta is fairly sensitive to the…
Using combinatorial optimisation techniques we study the critical properties of the two- and the three-dimensional Ising model with uniformly distributed random antiferromagnetic couplings $(1 \le J_i \le 2)$ in the presence of a…
Criticality in a fluid of dielectric constant D that exhibits Ising-type behavior is studied as additional electrostatic (i.e., ionic) interactions are turned on. An exploratory perturbative calculation is performed for small ionicity as…
We report the dispersion coefficients for the interacting inert gas atoms with the alkali ions, alkaline earth ions and alkali atoms with their singly charged ions. We use our relativistic coupled-cluster method to determine dynamic dipole…
In bulk silicon, intervalley electronic interference has been shown to lead to strong oscillations in the exchange coupling between impurity electronic wavefunctions, posing a serious manufacturability problem for proposed quantum…
The ground-state hyperfine splitting values of high-Z boronlike ions are calculated. Calculation of the interelectronic-interaction contribution is based on a combination of the 1/Z perturbation theory and the large-scale…