Orthogonal polynomials and recurrence equations, operator equations and factorization

This article surveys the classical orthogonal polynomial systems of the Hahn class, which are solutions of second-order differential, difference or q-difference equations. Orthogonal families satisfy three-term recurrence equations. Example applications of an algorithm to determine whether a three-term recurrence equation has solutions in the Hahn class - implemented in the computer algebra system Maple - are given. Modifications of these families, in particular associated orthogonal systems, satisfy fourth-order operator equations. A factorization of these equations leads to a solution basis.

Contribution of the exact Breit operator plus the electron state-dependent screening to the multiplet and fine structure of muon-electron atoms

We investigate for very general cases the multiplet and fine structure splitting of muonelectron atoms arising from the coupling of the electron and muon angular momenta, including the effect of the Breit operator plus the electron state-dependent screening. Although many conditions have to be fulfilled simultaneously to observe these effeets, it should be possible to measure them in the 6h- 5g muonic transition in the Sn region.

Influence of the electronic shell structure on the elastic scattering of heavy ions

The interatomic potential of the system I - I at intermediate and small distances is calculated from atomic DFS electron densities within a statistical model. Structures in the potential, due to the electronic shells, are investigated. Calculations of the elastic differential scattering cross section for small angles and several keV impact energies show a detailed peak pattern which can be correlated to individual electronic shell interaction.

Many-electron relativistic calculation and interpretation of atomic processes in time dependent heavy-ion scattering

The time dependence of a heavy-ion-atom collision system is solved via a set of coupled channel equations using energy eigenvalues and matrix elements from a self-consistent field relativistic molecular many-electron Dirac-Fock-Slater calculation. Within this independent particle model we give a full many-particle interpretation by performing a small number of single-particle calculations. First results for the P(b) curves for the Ne K-hole excitation for the systems F{^8+} - Ne and F{^6+} - Ne as examples are discussed.

Total differential scattering cross section of {Ar^+}-Ar at 15 to 400 keV

We report on the measurement of the total differential scattering cross section of {Ar^+}-Ar at laboratory energies between 15 and 400 keV. Using an ab initio relativistic molecular program which calculates the interatomic potential energy curve with high accuracy, we are able to reproduce the detailed structure found in the experiment.

Inclusive probabilities for the scattering system 16 MeV-S{^16+} on Ar

We performed ab initio calculations of many particle inclusive probabilities for the scattering system 16 MeV-S{^16+} on Ar. The solution of the time-dependent DIRAC-FOCK-SLATER-equation is achieved via a set of coupled-channel equations with energy eigenvalues and matrix elements which are given by static SCF molecular many electron calculations.

Theoretical evidence for quasi-molecular structure at small internuclear distances in elastic ion-atom scattering

The potential energy curve of the system Ne-Ne is calculated for small internuclear distances from 0.005 to 3.0 au using a newly developed relativistic molecular Dirac-Fock-Slater code. A significant structure in the potential energy curve is found which leads to a nearly complete agreement with experimental differential elastic scattering cross sections. This demonstrates the presence of quasi-molecular effects in elastic ion-atom collisions at keV energies.

New calculations of P(b) curves for 1s_\sigma excitation in low-Z (Z\le10) ion-atom scattering

Ab initio fully relativistic SCF molecular calculations of energy eigenvalues as well as coupling-matrix elements are used to calculate the 1s_\sigma excitation differential cross section for Ne-Ne and Ne-O in ion-atom collisions. A relativistic perturbation treatment which allows a direct comparison with analogous non-relativistic calculations is also performed.

Multiple vacancy inclusive probabilities for the scattering system 16 MeV S{^16+} on Ar

To evaluate single and double K-shell inclusive charge transfer probabilities in ion-atom collisions we solve the time-dependent Dirac equation. By expanding the timedependent wavefunction in a set of molecular basis states the time-dependent equation reduces to a set of coupled-channel equations. The energy eigenvalues and matrix elements are taken from self-consistent relativistic molecular many-electron Dirac-Fock-Slater calculations. We present many-electron inclusive probabilities for different final configurations as a function of impact parameter for single and double K-shell vacancy production in collisions of bare S on Ar.

Interatomic potential structures in highly ionized scattering systems

The interatomic potential of the ion-atom scattering system I^N+-I at small intermediate internuclear distances is calculated for different charge states N from atomic Dirac-Focker-Slater (DFS) electron densities within a statistical model. The behaviour of the potential structures, due to ionized electronic shells, is studied by calculations of classical elastic differential scattering cross-sections.

Elastic nuclear scattering at intermediate and relativistic energies

The classical scattering cross section of two colliding nuclei at intermediate and relativistic energies is reevaluated. The influence of retardation and magnetic field effects is taken into account. Corrections due to electron screening as well as due to attractive nuclear forces are discussed. This paper represents an addendum to [l].

Realistic many electron coupled channel calculations in heavy ion scattering

The time dependent Dirac equation which describes a heavy ion-atom collision system is solved via a set of coupled channel equations with energy eigenvalues and matrix elements which are given by a selfconsistent field many electron calculation. After a brief discussion of the theoretical approximations and the connection of the many particle with the one particle interpretation we discuss first results for the systems F{^8+} - Ne and F{^6+} - Ne. The resulting P(b) curves for the creation of a Ne K-hole are in good agreement with the experimental results.

Elimination in Operator Algebras

A large class of special functions are solutions of systems of linear difference and differential equations with polynomial coefficients. For a given function, these equations considered as operator polynomials generate a left ideal in a noncommutative algebra called Ore algebra. This ideal with finitely many conditions characterizes the function uniquely so that Gröbner basis techniques can be applied. Many problems related to special functions which can be described by such ideals can be solved by performing elimination of appropriate noncommutative variables in these ideals. In this work, we mainly achieve the following: 1. We give an overview of the theoretical algebraic background as well as the algorithmic aspects of different methods using noncommutative Gröbner elimination techniques in Ore algebras in order to solve problems related to special functions. 2. We describe in detail algorithms which are based on Gröbner elimination techniques and perform the creative telescoping method for sums and integrals of special functions. 3. We investigate and compare these algorithms by illustrative examples which are performed by the computer algebra system Maple. This investigation has the objective to test how far noncommutative Gröbner elimination techniques may be efficiently applied to perform creative telescoping.