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1.
<正>h-P Finite Element Approximation for Full-Potential Electronic Structure Calculations Yvon MADAY The(continuous)finite element approximations of different orders for the computation of the solution to electronic structures were proposed in some papers and the performance of these approaches is becoming appreciable and is now well understood.In this publication,the author  相似文献   

2.
Local and Parallel Finite Element Algorithms for Eigenvalue Problems   总被引:4,自引:0,他引:4  
Abstract Some new local and parallel finite element algorithms are proposed and analyzed in this paper foreigenvalue problems.With these algorithms, the solution of an eigenvalue problem on a fine grid is reduced tothe solution of an eigenvalue problem on a relatively coarse grid together with solutions of some linear algebraicsystems on fine grid by using some local and parallel procedure.A theoretical tool for analyzing these algorithmsis some local error estimate that is also obtained in this paper for finite element approximations of eigenvectorson general shape-regular grids.  相似文献   

3.
Regular assumption of finite element meshes is a basic condition of most analysis offinite element approximations both for conventional conforming elements and nonconform-ing elements.The aim of this paper is to present a novel approach of dealing with theapproximation of a four-degree nonconforming finite element for the second order ellipticproblems on the anisotropic meshes.The optimal error estimates of energy norm and L~2-norm without the regular assumption or quasi-uniform assumption are obtained based onsome new special features of this element discovered herein.Numerical results are givento demonstrate validity of our theoretical analysis.  相似文献   

4.
The approach of nonconforming finite element method admits users to solve the partial differential equations with lower complexity,but the accuracy is usually low.In this paper,we present a family of highaccuracy nonconforming finite element methods for fourth order problems in arbitrary dimensions.The finite element methods are given in a unified way with respect to the dimension.This is an effort to reveal the balance between the accuracy and the complexity of finite element methods.  相似文献   

5.
The main objective of this paper is to present a new rectangular nonconforming finite element scheme with the second order convergence behavior for approximation of Maxwell’s equations.Then the corresponding optimal error estimates are derived.The difficulty in construction of this finite element scheme is how to choose a compatible pair of degrees of freedom and shape function space so as to make the consistency error due to the nonconformity of the element being of order O(h 3 ) ,properly one order higher than that of its interpolation error O(h 2 ) in the broken energy norm,where h is the subdivision parameter tending to zero.  相似文献   

6.
The dual argument is well known for recoving the optimal L_2-error of the finite element method in elliptic context. This argument, however, will lose efficacy in hyperbolic case. An expansion argument and an approximation argument are presented in this paper to recover the optimal L_2-error of finite element methods for hyperbolic problems. In particular, a second order error estimate in L_2-norm for the standard linear finite element method of hyperbolic problems is obtained if the exact solution is smooth and the finite element mesh is almost uniform, and some superconvergence estimates are also established for leas smooth solution.  相似文献   

7.
In this paper, both the standard finite element discretization and a two-scale finite element discretization for SchrSdinger equations are studied. The numerical analysis is based on the regularity that is also obtained in this paper for the Schroedinger equations. Very satisfying applications to electronic structure computations are provided, too.  相似文献   

8.
吴正朋  余德浩 《计算数学》2004,26(2):237-246
In this paper, we combine a finite element approach with the natural boundary element method to stduy the weak solvability and Galerkin approximations of a class of semilinear exterior boundary value problems. Our analysis is mainly based on the variational formulation with constraints. We discuss the error estimate of the finite element solution and obtain the asymptotic rate of convergence O(h^n) Finally, we also give two numerical examples.  相似文献   

9.
Optimal convergence rates of adaptive finite element methods are well understood in terms of the axioms of adaptivity.One key ingredient is the discrete reliability of a residualbased a posteriori error estimator,which controls the error of two discrete finite element solutions based on two nested triangulations.In the error analysis of nonconforming finite element methods,like the Crouzeix-Raviart or Morley finite element schemes,the difference of the piecewise derivatives of discontinuous approximations to the distributional gradients of global Sobolev functions plays a dominant role and is the object of this paper.The nonconforming interpolation operator,which comes natural with the definition of the aforementioned nonconforming finite element in the sense of Ciarlet,allows for stability and approximation properties that enable direct proofs of the reliability for the residual that monitors the equilibrium condition.The novel approach of this paper is the suggestion of a right-inverse of this interpolation operator in conforming piecewise polynomials to design a nonconforming approximation of a given coarse-grid approximation on a refined triangulation.The results of this paper allow for simple proofs of the discrete reliability in any space dimension and multiply connected domains on general shape-regular triangulations beyond newest-vertex bisection of simplices.Particular attention is on optimal constants in some standard discrete estimates listed in the appendices.  相似文献   

10.
In this article we propose an overlapping Schwarz domain decomposition method for solving a singularly perturbed semilinear reaction-diffusion problem. The solution to this problem exhibits boundary layers of width O(√ε ln(1/√ε)) at both ends of the domain due to the presence of singular perturbation parameter ε. The method splits the domain into three overlapping subdomains, and uses the Numerov or Hermite scheme with a uniform mesh on two boundary layer subdomains and a hybrid scheme with a uniform mesh on the interior subdomain. The numerical approximations obtained from this method are proved to be almost fourth order uniformly convergent (in the maximum norm) with respect to the singular perturbation parameter. Furthermore, it is proved that, for small ε, one iteration is sufficient to achieve almost fourth order uniform convergence. Numerical experiments are given to illustrate the theoretical order of convergence established for the method.  相似文献   

11.
Finite element and finite difference methods for the solutionof singular boundary value problems are compared using a modelproblem arising in fluid dynamics. It is shown that when finitedifference equations are "matched" with the local behaviourof the solution near the singularity they can be competitivewith existing finite element approximations based on piecewisebilinear functions supplemented with suitable singular terms.A significant improvement in the latter is shown to be possibleby careful construction of the singular term.  相似文献   

12.
一类带弱奇异核非线性偏积分微分方程的全离散有限元   总被引:1,自引:0,他引:1  
1引言我们将研究下面一类带弱奇异核非线性偏积分微分方程的数值解:u_t-▽·(a(u)▽u)-integral from n=0 to tβ(t-s)△u(s)ds=f(u),x∈Ω,t∈(?),(1.1) u(·,t)=0,x∈(?)Ω,t∈J,(1.2) u(·,0)=v(x),x∈Ω,(1.3)其中Ω为平面上的凸角域,J=(0,T],α和f为R上的光滑函数,满足0相似文献   

13.
The application of an alternating-direction finite element solution procedure to two-phase immiscible displacement problems in porous media is illustrated. This solution scheme provides for rapid solution of the discrete problem, due to the narrow banded matrices involved, with an accuracy which is comparable to that of standard finite element approximations. The governing partial differential equations for immiscible two-phase porous media flow are given and their discretization, via a Laplace-modified time stepping scheme, is presented. Iterative improvement of the time stepping scheme is also considered and numerical examples are provided which demonstrate the saving in computational time which can be achieved.  相似文献   

14.
In this paper, we present the numerical analysis on high order dual parametric finite element methods for the cavitation computation problems in nonlinear elasticity, which leads to a meshing strategy assuring high efficiency on numerical approximations to cavity deformations. Furthermore, to cope with the high order approximation of the finite element methods, properly chosen weighted Gaussian type numerical quadrature is applied to the singular part of the elastic energy. Our numerical experiments show that the high order dual parametric finite element methods work well when coupled with properly designed weighted Gaussian type numerical quadratures for the singular part of the elastic energy, and the convergence rates of the numerical cavity solutions are shown to be significantly improved as expected.  相似文献   

15.
一种高精度的裂纹奇异单元   总被引:1,自引:0,他引:1  
基于广义伽辽金法的多变量有限元算法,增加了连续体力学有限元模型建立的灵活性.本文利用它,通过数值试验的对比建立了一种高精度的含奇异性的裂纹单元,并对多变量奇异元的构成进行了探讨.  相似文献   

16.
In this paper, parameter-uniform numerical methods for a class of singularly perturbed parabolic partial differential equations with two small parameters on a rectangular domain are studied. Parameter-explicit theoretical bounds on the derivatives of the solutions are derived. The solution is decomposed into a sum of regular and singular components. A numerical algorithm based on an upwind finite difference operator and an appropriate piecewise uniform mesh is constructed. Parameter-uniform error bounds for the numerical approximations are established. Numerical results are given to illustrate the parameter-uniform convergence of the numerical approximations.

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17.
Luka Grubišić 《PAMM》2006,6(1):59-62
We combine abstract eigenvalue/eigenvector estimates (from our earlier work) with a saturation assumption for finite element solution of associated stationary problem to obtain a posteriori estimates of the accuracy of finite element Rayleigh–Ritz approximations. Attention will be payed to the interplay between the accuracy estimate for the finite element method and a strategy for generating an adapted mesh. The obtained results use a preconditioned residuum of Neymeyr and extend his study of eigenvalue approximations with eigenvector estimates. We also prove that this eigenvalue estimator is equivalent to the global error. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)  相似文献   

18.
Numerical verification of solutions for variational inequalities   总被引:1,自引:0,他引:1  
In this paper, we consider a numerical technique that enables us to verify the existence of solutions for variational inequalities. This technique is based on the infinite dimensional fixed point theorems and explicit error estimates for finite element approximations. Using the finite element approximations and explicit a priori error estimates for obstacle problems, we present an effective verification procedure that through numerical computation generates a set which includes the exact solution. Further, a numerical example for an obstacle problem is presented. Received October 28,1996 / Revised version received December 29,1997  相似文献   

19.
In this paper, a multilevel correction scheme is proposed to solve the Steklov eigenvalue problem by nonconforming finite element methods. With this new scheme, the accuracy of eigenpair approximations can be improved after each correction step which only needs to solve a source problem on finer finite element space and an Steklov eigenvalue problem on the coarsest finite element space. This correction scheme can increase the overall efficiency of solving eigenvalue problems by the nonconforming finite element method. Furthermore, as same as the direct eigenvalue solving by nonconforming finite element methods, this multilevel correction method can also produce the lower-bound approximations of the eigenvalues.  相似文献   

20.
Summary In this paper we derive error estimates for infinite element method used in the approximation of solutions of interface problems. Furthermore, approximations of stress intensity factors are given. The infinite element method may be considered as a certain scheme of mesh refinement, but it has the advantages that the refinement is easy to be constructed that the stiffness matrix can be calculated efficiently, and that an approximate solution which has a singularity at the singular point can be also obtained.  相似文献   

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