Multilevel methods for elliptic problems on domains not resolved by the coarse grid

Elliptic boundary value problems are frequently posed on complicated domains, which cannot be covered by a simple coarse initial grid as is needed for multigrid-like iterative methods. In the present article, this problem is resolved for selfadjoint second order problems and Dirichlet boundary conditions. The idea is to construct appropriate subspace decompositions of the corresponding finite element spaces by way of an embedding of the domain under consideration into a simpler domain like a square or a cube. Then the general theory of subspace correction methods can be applied

Numerical Homogenization of Elliptic Multiscale Problems by Subspace Decomposition

Numerical homogenization tries to approximate solutions of elliptic partial differential equations with strongly oscillating coefficients by the solution of localized problems over small subregions. We develop and analyze a rapidly convergent iterative method for numerical homogenization that shares this feature with existing approaches and is modeled after the Schwarz method. The method is highly parallelizable and of lower computational complexity than comparable methods that as ours do not make explicit or implicit use of a scale separation

Multigrid methods for discrete elliptic problems on triangular surfaces

We construct and analyze multigrid methods for discretized self-adjoint elliptic problems on triangular surfaces in R3. The methods involve the same weights for restriction and prolongation as in the case of planar triangulations and therefore are easy to implement. We prove logarithmic bounds of the convergence rates with constants solely depending on the ellipticity, the smoothers and on the regularity of the triangles forming the triangular surface. Our theoretical results are illustrated by numerical computations

Direct and Iterative Methods for Numerical Homogenization

Elliptic problems with oscillating coefficients can be approximated up to arbitrary accuracy by using sufficiently fine meshes, i.e., by resolving the fine scale. Well-known multiscale finite elements [5, 9] can be regarded as direct numerical homogenization methods in the sense that they provide approximations of the corresponding (unfeasibly) large linear systems by much smaller systems while preserving the fine-grid discretization accuracy (model reduction). As an alternative, we present iterative numerical homogenization methods that provide approximations up to fine-grid discretization accuracy and discuss differences and commonalities

The finite mass mesh method

The finite mass method is a purely Lagrangian scheme for the spatial discretisation of the macroscopic phenomenological laws that govern the flow of compressible fluids. In this article we investigate how to take into account long range gravitational forces in the framework of the finite mass method. This is achieved by incorporating an extra discrete potential energy of the gravitational field into the Lagrangian that underlies the finite mass method. The discretisation of the potential is done in an Eulerian fashion and employs an adaptive tensor product mesh fixed in space, hence the name finite mass mesh method for the new scheme. The transfer of information between the mass packets of the finite mass method and the discrete potential equation relies on numerical quadrature, for which different strategies will be proposed. The performance of the extended finite mass method for the simulation of two-dimensional gas pillars under self-gravity will be reporte

Hierarchical decomposition of domains with fractures

We consider the efficient and robust numerical solution of elliptic problems with jumping coefficients occuring on a network of fractures. These thin geometric structures are resolved by anisotropic trapezoidal elements. We present an iterative solution concept based on a hierarchical separation of the fractures and the surrounding rock matrix. Upper estimates for the convergence rates are independent of the the jump of coefficients and of the width of the fractures and depend only polynomially on the number of refinement steps. The theoretical results are illustrated by numerical experiments

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

Finding apparent horizons and other two-surfaces of constant expansion

Apparent horizons are structures of spacelike hypersurfaces that can be determined locally in time. Closed surfaces of constant expansion (CE surfaces) are a generalisation of apparent horizons. I present an efficient method for locating CE surfaces. This method uses an explicit representation of the surface, allowing for arbitrary resolutions and, in principle, shapes. The CE surface equation is then solved as a nonlinear elliptic equation. It is reasonable to assume that CE surfaces foliate a spacelike hypersurface outside of some interior region, thus defining an invariant (but still slicing-dependent) radial coordinate. This can be used to determine gauge modes and to compare time evolutions with different gauge conditions. CE surfaces also provide an efficient way to find new apparent horizons as they appear e.g. in binary black hole simulations.Comment: 21 pages, 8 figures; two references adde

A mathematical and computational review of Hartree-Fock SCF methods in Quantum Chemistry

We present here a review of the fundamental topics of Hartree-Fock theory in Quantum Chemistry. From the molecular Hamiltonian, using and discussing the Born-Oppenheimer approximation, we arrive to the Hartree and Hartree-Fock equations for the electronic problem. Special emphasis is placed in the most relevant mathematical aspects of the theoretical derivation of the final equations, as well as in the results regarding the existence and uniqueness of their solutions. All Hartree-Fock versions with different spin restrictions are systematically extracted from the general case, thus providing a unifying framework. Then, the discretization of the one-electron orbitals space is reviewed and the Roothaan-Hall formalism introduced. This leads to a exposition of the basic underlying concepts related to the construction and selection of Gaussian basis sets, focusing in algorithmic efficiency issues. Finally, we close the review with a section in which the most relevant modern developments (specially those related to the design of linear-scaling methods) are commented and linked to the issues discussed. The whole work is intentionally introductory and rather self-contained, so that it may be useful for non experts that aim to use quantum chemical methods in interdisciplinary applications. Moreover, much material that is found scattered in the literature has been put together here to facilitate comprehension and to serve as a handy reference.Comment: 64 pages, 3 figures, tMPH2e.cls style file, doublesp, mathbbol and subeqn package

A monotone multigrid solver for two body contact problems in biomechanics

The purpose of the paper is to apply monotone multigrid methods to static and dynamic biomechanical contact problems. In space, a finite element method involving a mortar discretization of the contact conditions is used. In time, a new contact-stabilized Newmark scheme is presented. Numerical experiments for a two body Hertzian contact problem and a biomechanical application are reported