Related papers: Computing Counterion Densities at Intermediate Cou…
We present a short overview over recent MD simulations of systems of fully flexible polyelectrolyte chains with explicitly treated counter ions using the full Coulomb potential. The main emphasis is given on the conformational properties of…
By a combination of Monte Carlo simulations and analytical calculations, we investigate the effective interactions between highly charged planar interfaces, neutralized by mobile counterions (salt-free system). While most previous analysis…
Non-covalent interactions are essential in the description of soft matter, including materials of technological importance and biological molecules. In density-functional theory, common approaches fail to describe dispersion forces, an…
We consider configurations of $N$ charged particles on the interval with nearest neighbour Coulomb interaction and constant external force. For different values of external force we find 4 different phases of the asymptotic particle density…
Because micro-ions accumulate around highly charged colloidal particles in electrolyte solutions, the relevant parameter to compute their interactions is not the bare charge, but an effective (or renormalized) quantity, whose value is…
We address the steady-state behavior of a system consisting of several correlated monoatomic layers sandwiched between two metallic leads under the influence of a bias voltage. In particular, we investigate the effect of the local Hubbard…
In this thesis we study the lateral electrostatic interaction between a pair of non-identical, moderately charged colloidal particles trapped at an electrolyte interface in the limit of short inter-particle separations. Using a simplified…
A system of interacting Brownian particles subject to short-range repulsive potentials is considered. A continuum description in the form of a nonlinear diffusion equation is derived systematically in the dilute limit using the method of…
We study the electric double layer by combining the effects of ion finite size and dielectric decrement. At high surface potential, both mechanisms can cause saturation of the counter-ion concentration near a charged surface. The modified…
In the framework of the grand-canonical ensemble of statistical mechanics, we give an exact diagrammatic representation of the density profiles in a classical multicomponent plasma near a dielectric wall. By a reorganization of Mayer…
A density functional theory for a macroion suspension is examined, where the excess free energy corresponds to the macroion self energy arising from the polarisation of the supporting electrolyte solution. This is treated within a…
Relativistic mean-field theory with $\delta$ meson, nonlinear isoscalar self-interactions and isoscalar-isovector cross interaction terms with parametrizations obtained to reproduce Dirac-Brueckner-Hartree-Fock calculations for nuclear…
Non-uniform structures of nuclear matter are studied in a wide density-range. Using the density functional theory with a relativistic mean-field model, we examine non-uniform structures at sub-nuclear densities (nuclear ``pastas'') and at…
Anions and radicals are important for many applications including environmental chemistry, semiconductors, and charge transfer, but are poorly described by the available approximate energy density functionals. Here we test an approximate…
We study the interactions between two negatively charged macroscopic surfaces confining positive counterions. A density-functional approach is introduced which, besides the usual mean-field interactions, takes into account the correlations…
Recently developed analytic approximation for the equation of state of fully ionized nonideal electron-ion plasma mixtures [Potekhin et al., Phys. Rev. E, 79, 016411 (2009); arXiv:0812.4344], which covers the transition between the weak and…
We construct the complementary short-range correlation relativistic local-density-approximation functional to be used in relativistic range-separated density-functional theory based on a Dirac-Coulomb Hamiltonian in the no-pair…
We consider a macroion confined to a cylindrical cell and neutralized by oppositely charged counterions. Exact results are obtained for the two-dimensional version of this problem, in which ion-ion and ion-macroion interactions are…
A novel approach for the control of exciton-exciton Coulomb coupling in semiconductor macroatoms/molecules is proposed. We show that by applying properly tailored external fields, we can induce ---or significantly reinforce--- excitonic…
We consider the proximity effect in a normal dot coupled to a bulk superconducting reservoir by the tunnel contact with large normal conductance. Coulomb interaction in the dot suppresses the proximity minigap induced in the normal part of…