Symbolic-Numerical Algorithms for Solving the Parametric Self-adjoint 2D Elliptic Boundary-Value Problem Using High-Accuracy Finite Element Method

We propose new symbolic-numerical algorithms implemented in Maple-Fortran environment for solving the parametric self-adjoint elliptic boundary-value problem (BVP) in a 2D finite domain, using high-accuracy finite element method (FEM) with triangular elements and high-order fully symmetric Gaussian quadratures with positive weights, and no points are outside the triangle (PI type). The algorithms and the programs calculate with the given accuracy the eigenvalues, the surface eigenfunctions and their first derivatives with respect to the parameter of the BVP for parametric self-adjoint elliptic differential equation with the Dirichlet and/or Neumann type boundary conditions on the 2D finite domain, and the potential matrix elements, expressed as integrals of the products of surface eigenfunctions and/or their first derivatives with respect to the parameter. We demonstrated an efficiency of algorithms and program by benchmark calculations of helium atom ground state.

[1]  Ochbadrakh Chuluunbaatar,et al.  KANTBP: A program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach , 2007, Comput. Phys. Commun..

[2]  L. Ponomarev,et al.  Adiabatic representation in the three-body problem with Coulomb interaction , 1982 .

[3]  P. Rabinowitz Russian Numerical Analysis: Approximate Methods of Higher Analysis . L. V. Kantorovich and V. I. Krylov. Translated from the third Russian edition by Curtis D. Benster. Interscience, New York, 1959. xv + 681. $17. , 1961, Science.

[4]  Ochbadrakh Chuluunbaatar,et al.  On calculations of two-electron atoms in spheroidal coordinates mapping on hypersphere , 2016, Saratov Fall Meeting.

[5]  Ochbadrakh Chuluunbaatar,et al.  KANTBP 3.0: New version of a program for computing energy levels, reflection and transmission matrices, and corresponding wave functions in the coupled-channel adiabatic approach , 2014, Comput. Phys. Commun..

[6]  Hui,et al.  A SET OF SYMMETRIC QUADRATURE RULES ON TRIANGLES AND TETRAHEDRA , 2009 .

[7]  L. Kantorovich,et al.  Approximate methods of higher analysis , 1960 .

[8]  Ronald Cools,et al.  An encyclopaedia of cubature formulas , 2003, J. Complex..

[9]  Ochbadrakh Chuluunbaatar,et al.  POTHEA: A program for computing eigenvalues and eigenfunctions and their first derivatives with respect to the parameter of the parametric self-adjoined 2D elliptic partial differential equation , 2014, Comput. Phys. Commun..

[10]  W. A. Cook,et al.  Comparison of Lanczos and subspace iterations for hyperspherical reaction path calculations , 1989 .

[11]  D. A. Dunavant High degree efficient symmetrical Gaussian quadrature rules for the triangle , 1985 .

[12]  Philippe G. Ciarlet,et al.  The finite element method for elliptic problems , 2002, Classics in applied mathematics.

[13]  A. R. P. Rau,et al.  Atomic Collisions and Spectra , 1986 .

[14]  H. Saunders,et al.  Finite element procedures in engineering analysis , 1982 .

[15]  Greene,et al.  Adiabatic hyperspherical study of the helium trimer. , 1996, Physical review. A, Atomic, molecular, and optical physics.

[16]  Zhu,et al.  FINITE DIFFERENCE APPROXIMATION FOR PRICING THE AMERICAN LOOKBACK OPTION , 2009 .