Related papers: Density-Functional Theory and Triply-Periodic Mini…
Triply periodic minimal surface (TPMS) structures, a type of lattice structure, have garnered significant attention due to their lightweight nature, controllability, and excellent mechanical properties. Voxel-based modeling is a widely used…
Self-consistent calculations of the energy-loss spectra of charged particles moving near a plane-bounded free electron gas are reported. Energy-loss probabilities are obtained, within linear-response theory, from the knowledge of the…
We present an alternative to the Kohn-Sham formulation of density functional theory for the ground-state properties of strongly interacting electronic systems. The idea is to start from the limit of zero kinetic energy and systematically…
The structure of dilute electrolyte solutions close to a surface carrying a spatially inhomogeneous surface charge distribution is investigated by means of classical density functional theory (DFT) within the approach of fundamental measure…
We apply general variational techniques to the problem of the counterion distribution around highly charged objects where strong condensation of counterions takes place. Within a field-theoretic formulation using a fluctuating electrostatic…
The Fermi surface is an abstract object in the reciprocal space of a crystal lattice, enclosing the set of all those electronic band states that are filled according to the Pauli principle. Its topology is dictated by the underlying lattice…
In biological and synthetic materials, many important processes involve charges that are present in a medium with spatially varying dielectric permittivity. To accurately understand the role of electrostatic interactions in such systems, it…
The real-time electronic dynamics on material surfaces is critically important to a variety of applications. However, their simulations have remained challenging for conventional methods such as the time-dependent density-functional theory…
We predict a mechanism of spontaneous stabilization of a uniaxial density wave in a two-dimensional metal with an isotropic Fermi surface in the presence of external magnetic field. The topological transformation of a closed Fermi surface…
A mixed basis approach based on density functional theory is employed for low dimensional systems. The basis functions are taken to be plane waves for the periodic direction multiplied by B-spline polynomials in the non-periodic direction.…
We present a novel method, which we call dual minima hopping method (DMHM), that allows us to find the global minimum of the potential energy surface (PES) within density functional theory for systems where a fast but less accurate…
A simple model of soap films with nonionic surfactants stabilized by added electrolyte is studied. The model exhibits charge regularization due to the incorporation of a physical mechanism responsible for the formation of a surface charge.…
We investigate electron and ion surface states of a negatively charged dust particle in a gas discharge and identify the charge of the particle with the electron surface density bound in the polarization-induced short-range part of the…
The organization of water molecules and ions between charged mineral surfaces determines the stability of colloidal suspensions and the strength of phase-separated particulate gels. In this article we assemble a density functional that…
We study the ionic distribution near a charged surface. A new method for performing Monte Carlo simulations in this geometry is discussed. A theory is then presented that allows us to accurately reproduce the density profiles obtained in…
We construct triply periodic zero mean curvature surfaces of mixed type in the Lorentz-Minkowski 3-space, with the same topology as the triply periodic minimal surfaces in the Euclidean 3-space, called Schwarz rPD surfaces.
The AdS/CFT correspondence relates Wilson loops in N=4 SYM to minimal area surfaces in $AdS_5\times S^5$ space. Recently, a new approach to study minimal area surfaces in $AdS_3 \subset AdS_5$ was discussed based on a Schroedinger equation…
Surface-response functions are one of the most promising routes for bridging the gap between fully quantum-mechanical calculations and phenomenological models in quantum nanoplasmonics. Within all the currently available recipes for…
We proposed a formally exact, probabilistic method to assess the validity of the Thomas-Fermi potential for three-dimensional condensed matter systems where electron dynamics is constrained to the Fermi surface. Our method, which relies on…
We study surfaces in Euclidean space ${\mathbb R}^3$ that are minimal for a log-linear density $\phi(x,y,z)=\alpha x+\beta y+\gamma y$, where $\alpha,\beta,\gamma$ are real numbers not all zero. We prove that if a surface is $\phi$-minimal…