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We present a comparison of methods for treating the electrostatic interactions of finite, isolated systems within periodic boundary conditions (PBCs), within Density Functional Theory (DFT), with particular emphasis on linear-scaling (LS)…
In this article a concept is introduced, which allows for reduced Coulomb interaction in organic solar cells and as such for enhanced power conversion efficiencies. The concept is based on the introduction of electrically insulating,…
We present a systematic theory of Coulomb-induced correlation effects in the nonlinear optical processes within the strong-coupling regime. In this paper we shall set a dynamics controlled truncation scheme \cite{Axt Stahl} microscopic…
We present a new reciprocal space analytical method to cutoff the long range interactions in supercell calculations for systems that are infinite and periodic in 1 or 2 dimensions, extending previous works for finite systems. The proposed…
Accurate and efficient tools for calculating the ground state properties of interacting quantum systems are essential in the design of nanoelectronic devices. The exact diagonalization method fully accounts for the Coulomb interaction…
The realization of semiconductor structures with stable excitons at room temperature is crucial for the development of excitonics and polaritonics. Quantum confinement has commonly been employed for enhancing excitonic effects in…
The transport of fluids at the nanoscale is fundamental to manifold biological and industrial processes, ranging from neurotransmission to ultrafiltration. Yet, it is only recently that well-controlled channels with cross-sections as small…
Real physical systems are only understood, experimentally or theoretically, to a finite resolution so in their analysis there is generally an ignorance of possible short-range phenomena. It is also well-known that the boundary conditions of…
Recent experiments about the low temperature behaviour of a Single Wall Carbon Nanotube (SWCNT) showed typical Coulomb Blockade (CB) peaks in the zero bias conductance and allowed us to investigate the energy levels of interacting…
Electronic correlations together with dimensional constraints lead to some of the most fascinating properties known in condensed matter physics. As possible candidates where these conditions are realized, semiconductor (111) surfaces and…
The confinement of an ionic liquid between charged solid surfaces is treated using an exactly solvable 1D Coulomb gas model. The theory highlights the importance of two dimensionless parameters: the fugacity of the ionic liquid, and the…
The effective on-site Coulomb interaction (Hubbard $U$) between localized electrons at crystal surfaces is expected to be enhanced due to the reduced coordination number and reduced subsequent screening. By means of first principles…
Coulomb interaction is of central importance in localized energy levels (bound states) or electronic flat bands and could result in many exotic quantum phases, such as magnetic, superconducting, and topological phases in graphene…
We give a detailed description of a recently proposed first principles approach to the electronic structure of strongly correlated materials. The method combines the GW approximation with dynamical mean field theory. It is designed to…
We present a reciprocal space technique for the calculation of the Coulomb integral in two dimensions in systems with reduced periodicity, i.e., finite systems, or systems that are periodic only in one dimension. The technique consists in…
Carbon nanotube with electric fluxes confined in one dimension is studied. We show that a Coulomb interaction \propto |x| leads to a confinement phase with many properties similar to QCD in 4D. Low-energy physics is described by the massive…
We develop two theoretical approaches for dealing with the low-energy effects of the repulsive interaction in one-dimensional electron systems. Renormalization Group methods allow us to study the low-energy behavior of the unscreened…
Coulomb interactions play an essential role in atomically-thin materials. On one hand, they are strong and long-ranged in layered systems due to the lack of environmental screening. On the other hand, they can be efficiently tuned by means…
We present an efficient method for simulating Coulomb systems confined by metal electrodes. The approach relies on Green functions techniques to obtain the electrostatic potential for an infinite periodically replicated system. This avoids…
The present work discusses theoretical models which address the effects of electron--electron interactions and disorder in graphene planes. The starting point for the study is a simple tight-binding model for the electronic structure…