In this paper we describe the propagation of singularities of tempered distributional solutions u ∈ S of (H − λ)u = 0, λ > 0, where H is a many-body Hamiltonian H = ∆+ V , ∆ ≥ 0, V = ∑ a Va, under the assumption that no subsystem has a bound state and that the two-body interactions Va are real-valued polyhomogeneous symbols of order −1 (e.g. Coulomb-type with the singularity at the origin remov...

The Polarizable Continuum Model (PCM) can be used in conjunction with Density Functional Theory (DFT) and its time-dependent extension (TDDFT) to simulate the electronic and optical properties of molecules and nanoparticles immersed in a dielectric environment, typically liquid solvents. In this contribution, we develop a methodology to account for solvation effects in real-space (and real-time...

We introduce a new numerical grid-based method on unstructured grids in the three-dimensional real-space to investigate the electronic structure of polyatomic molecules. The Voronoi-cell finite difference (VFD) method realizes a discrete Laplacian operator based on Voronoi cells and their natural neighbors, featuring high adaptivity and simplicity. To resolve multicenter Coulomb singularity in ...

In this paper we describe the propagation of singularities of tempered distributional solutions u ∈ S of (H − λ)u = 0, λ > 0, where H is a many-body Hamiltonian H = ∆+ V , ∆ ≥ 0, V = P a Va, under the assumption that no subsystem has a bound state and that the two-body interactions Va are real-valued polyhomogeneous symbols of order −1 (e.g. Coulomb-type with the singularity at the origin remov...

Collisional absorption of dense fully ionized plasmas in strong laser fields has been investigated using molecular dynamics simulations [1, 2, 3]. The external electric field was implemented as a homogeneous linearly polarized harmonic field. The main difficulty in order to simulate a fully ionized plasma is to model the attractive electron–ion interaction: the pure Coulomb potential has a sing...

The Graphene based single electron transistor (SET) as a coulomb blockade device need to be explored .It is a unique device for high-speed operation in a nano scale regime. A single electron transfers via the coulomb barriers, but its movement may be prevented by coulomb blockade, so its effect is investigated in this research. The conditions of coulomb blockade and its controlling factors such...

Interface dynamics of post contact states in regularized models of electrostatic-elastic interactions are analyzed. A canonical setting for our investigations is the field of MicroElectromechanical Systems (MEMS) in which flexible elastic structures may come into physical contact due to applied Coulomb forces. We study the dynamic features of a recently derived regularized model (A.E. Lindsay e...

A unified semiclassical time propagator is used to calculate the semiclassical time-correlation function in three cartesian dimensions for a particle moving in an attractive Coulomb potential. It is demonstrated that under these conditions the singularity of the potential does not cause any difficulties and the Coulomb interaction can be treated as any other non-singular potential. Moreover, by...

A bstract We study (orientifolded) toric Calabi-Yau singularities in search for D-brane configurations which lead to dynamical supersymmetry breaking at low energy. By exploiting dimer techniques we are able determine that while most realizations a Coulomb branch instability, rather specific construction admits fully stable vacuum. describe the geometric structure singularity should have order ...