Regularity for eigenfunctions of Schr\"odinger operators

We prove a regularity result in weighted Sobolev spaces (or Babuska--Kondratiev spaces) for the eigenfunctions of a Schr\"odinger operator. More precisely, let K_{a}^{m}(\mathbb{R}^{3N}) be the weighted Sobolev space obtained by blowing up the set of singular points of the Coulomb type potential V(x) = \sum_{1 \le j \le N} \frac{b_j}{|x_j|} + \sum_{1 \le i < j \le N} \frac{c_{ij}}{|x_i-x_j|}, x in \mathbb{R}^{3N}, b_j, c_{ij} in \mathbb{R}. If u in L^2(\mathbb{R}^{3N}) satisfies (-\Delta + V) u = \lambda u in distribution sense, then u belongs to K_{a}^{m} for all m \in \mathbb{Z}_+ and all a \le 0. Our result extends to the case when b_j and c_{ij} are suitable bounded functions on the blown-up space. In the single-electron, multi-nuclei case, we obtain the same result for all a<3/2.Comment: to appear in Lett. Math. Phy

Symmetries and observables in topological gravity

After a brief review of topological gravity, we present a superspace approach to this theory. This formulation allows us to recover in a natural manner various known results and to gain some insight into the precise relationship between different approaches to topological gravity. Though the main focus of our work is on the vielbein formalism, we also discuss the metric approach and its relationship with the former formalism.Comment: 34 pages; a few explanations added in subsection 2.2.1, published version of pape

Construction of Modern Robust Nodal Discontinuous Galerkin Spectral Element Methods for the Compressible Navier-Stokes Equations

Discontinuous Galerkin (DG) methods have a long history in computational physics and engineering to approximate solutions of partial differential equations due to their high-order accuracy and geometric flexibility. However, DG is not perfect and there remain some issues. Concerning robustness, DG has undergone an extensive transformation over the past seven years into its modern form that provides statements on solution boundedness for linear and nonlinear problems. This chapter takes a constructive approach to introduce a modern incarnation of the DG spectral element method for the compressible Navier-Stokes equations in a three-dimensional curvilinear context. The groundwork of the numerical scheme comes from classic principles of spectral methods including polynomial approximations and Gauss-type quadratures. We identify aliasing as one underlying cause of the robustness issues for classical DG spectral methods. Removing said aliasing errors requires a particular differentiation matrix and careful discretization of the advective flux terms in the governing equations.Comment: 85 pages, 2 figures, book chapte

Ab initio studies of structures and properties of small potassium clusters

We have studied the structure and properties of potassium clusters containing even number of atoms ranging from 2 to 20 at the ab initio level. The geometry optimization calculations are performed using all-electron density functional theory with gradient corrected exchange-correlation functional. Using these optimized geometries we investigate the evolution of binding energy, ionization potential, and static polarizability with the increasing size of the clusters. The polarizabilities are calculated by employing Moller-Plesset perturbation theory and time dependent density functional theory. The polarizabilities of dimer and tetramer are also calculated by employing large basis set coupled cluster theory with single and double excitations and perturbative triple excitations. The time dependent density functional theory calculations of polarizabilities are carried out with two different exchange-correlation potentials: (i) an asymptotically correct model potential and (ii) within the local density approximation. A systematic comparison with the other available theoretical and experimental data for various properties of small potassium clusters mentioned above has been performed. These comparisons reveal that both the binding energy and the ionization potential obtained with gradient corrected potential match quite well with the already published data. Similarly, the polarizabilities obtained with Moller-Plesset perturbation theory and with model potential are quite close to each other and also close to experimental data.Comment: 33 pages including 10 figure