arXiv subjects

S. Fritzsche

Publications and source records attributed to S. Fritzsche.

99 records · Page 6Linked to original sources

arXiv2006

Correlated EoM and Distributions for A=6 Nuclei

Energy spectra and electromagnetic transitions of nuclei are strongly depending from the correlations of the bound nucleons. Two particle correlations are responsible for the scattering of model particles either to low momentum- or to high momentum-states. The low momentum states form the model space while the high momentum states are used to calculate the G-matrix. The three and higher order particle correlations do not play a role in the latter calculation especially if the correlations induced by the scattering operator are of sufficient short range. They modify however, via the long tail of the nuclear potential, the Slater determinant of the A particles by generating excited Slater's determinants. In this work the influence of the correlations on the level structure and ground state distributions of even open shell nuclei is analyzed via the boson dynamic correlation model BDCM. The model is based on the unitary operator $e^S$ ({\it S} is the correlation operator) formalism which in this paper is presented within a non perturbative approximation. The low lying spectrum calculated for $^6$Li reproduce very well the experimental spectrum while for $^6$He a charge radius slightly larger than that obtained within the isotopic-shift (IS) theory has been calculated. Good agreement between theoretical and experimental results has been obtained without the introduction of a genuine three body force.

nucl-th↗

arXiv2004

Spectroscopic LSJ notation for atomic levels obtained from relativistic calculations

Today, relativistic calculations are known to provide a very successful means in the study of open-shell atoms and ions. But although accurate atomic data are obtained from these computations, they are traditionally carried out in jj-coupling and, hence, do often not allow for a simple LSJ classification of the atomic levels as needed by experiment. In fact, this lack of providing a proper spectroscopic notation from relativistic structure calculations has recently hampered not only the spectroscopy of medium and heavy elements, but also the interpretation and analysis of inner-shell processes, for which the occurrence of additional vacancies usually leads to a very detailed fine structure. Therefore, in order to facilitate the classification of atomic levels from such computations, here we present a program (within the Ratip environment) which help transform the atomic wave functions from jj-coupled multiconfiguration Dirac-Fock computations into a LS-coupled representation. Beside of a proper LSJ assignment to the atomic levels, the program also supports the full transformation of the wave functions if required for (nonrelativistic) computations.

physics.atom-ph↗

arXiv2004

Pure spin-angular momentum coefficients for non-scalar one-particle operators in jj-coupling

A revised program for generating the spin-angular coefficients in relativistic atomic structure calculations is presented. When compared with our previous version [G.Gaigalas, S.Fritzsche and I.P.Grant, CPC 139 (2001) 263], the new version of the Anco program now provides these coefficients for both, scalar as well as non-scalar one-particle operators as they arise frequently in the study of transition probabilities, photoionization and electron capture processes, the alignment transfer through excited atomic states, collision strengths, and in many other investigations. The program is based on a recently developed formalism [G.Gaigalas, Z.Rudzikas, and C.F.Fischer, J. Phys. B 30 (1997) 3747], which combines techniques from second quantization in coupled tensorial form, the theory of quasispin, and the use of reduced coefficients of fractional parentage, in order to derive the spin-angular coefficients for complex atomic shell structures more efficiently. By making this approach now available also for non-scalar interactions, therefore, studies on a whole field of new properties and processes are likely to become possible even for atoms and ions with a complex structure.

physics.atom-ph↗

arXiv2004

Maple procedures for the coupling of angular momenta. VI. LS-jj transformations

Transformation matrices between different coupling schemes are required, if a reliable classification of the level structure is to be obtained for open-shell atoms and ions. While, for instance, relativistic computations are traditionally carried out in jj-coupling, a LSJ coupling notation often occurs much more appropriate for classifying the valence-shell structure of atoms. Apart from the (known) transformation of single open shells, however, further demand on proper transformation coefficients has recently arose from the study of open d- and f-shell elements, the analysis of multiple--excited levels, or the investigation on inner-shell phenomena. Therefore, in order to facilitate a simple access to LS <-> jj transformation matrices, here we present an extension to the Racah program for the set-up and the transformation of symmetry-adapted functions. A flexible notation is introduced for defining and for manipulating open-shell configurations at different level of complexity which can be extended also to other coupling schemes and, hence, may help determine an optimum classification of atomic levels and processes in the future.

physics.atom-ph↗

arXiv2004

Calculation of reduced coefficients and matrix elements in jj-coupling

A program RCFP will be presented for calculating standard quantities in the decomposition of many-electron matrix elements in atomic structure theory. The list of quantities wich are supported by the present program includes the coefficients of fractional parentage, the reduced coefficients of fractional parentage, the reduced matrix elements of the unit operator T^{(k)} as well as the completely reduced matrix elements of the operator W^{(k_jk_q)} in jj-coupling. These quantities are now available for all subshells (nj) with j \leq 9/2 including partially filled 9/2-shells. Our program is based on a recently developed new approach on the spin-angular integration which combines second quantization and quasispin methods with the theory of angular momentum in order to obtain a more efficient evaluation of many-electron matrix elements. An underlying Fortran 90/95 module can directly be used also in (other) atomic structure codes to accelerate the computation for open-shell atoms and ions.

physics.atom-ph↗

arXiv2004

Program to calculate pure angular momentum coefficients in jj-coupling

A program for computing pure angular momentum coefficients in relativistic atomic structure for any scalar one- and two-particle operator is presented. The program, written in Fortran 90/95 and based on techniques of second quantization, irreducible tensorial operators, quasispin and the theory of angular momentum, is intended to replace existing angular coefficient modules from GRASP92. The new module uses a different decomposition of the coefficients as sums of products of pure angular momentum coefficients, which depend only on the tensor rank of the interaction but not on its details, with effective interaction strengths of specific interactions. This saves memory and reduces the computational cost of big calculations signficantly.

physics.atom-ph↗

arXiv2002

Cluster Transformation Coefficients for Structure and Dynamics Calculations in n-Particle Systems: Atoms, Nuclei, and Quarks

The structure and dynamics of an n-particle system are described with coupled nonlinear Heisenberg's commutator equations where the nonlinear terms are generated by the two-body interaction that excites the reference vacuum via particle-particle and particle-hole excitations. Nonperturbative solutions of the system are obtained with the use of dynamic linearization approximation and cluster transformation coefficients. The dynamic linearization approximation converts the commutator chain into an eigenvalue problem. The cluster coefficients factorize the matrix elements of the (n)-particles or particle-hole systems in terms of the matrix elements of the (n-1)-systems coupled to a particle-particle, particle-hole, and hole-hole boson. Group properties of the particle-particle, particle-hole, and hole-hole permutation groups simplify the calculation of these coefficients. The particle-particle vacuum-excitations generate superconductive diagrams in the dynamics of 3-quarks systems. Applications of the model to fermionic and bosonic systems are discussed.

hep-th↗

arXiv2002

New Window Resonances in the Potassium 3s Photoabsorption Spectrum

The photoion spectrum of atomic potassium was measured over the 3s -> np excitation region with the photoion time-of-flight method and monochromatized synchrotron radiation. An unusual spectrum with paired windows structure was found instead of a simple regular Rydberg series. Such subsidiary windows have not been observed in the 3s -> np resonances of Ar, which has a closed outer shell. Based on Dirac-Fock calculations, the dual window structure at 36.7 eV and at 37.4 eV was assigned to the 3s^{-1}3p^{6}4s4p resonance. The line shape can be fitted by Fano's formula and the Fano parameters were obtained.

physics.atom-ph↗

arXiv2001

Adsorption of CO on a Platinum (111) surface - a study within a four-component relativistic density functional approach

We report on results of a theoretical study of the adsorption process of a single carbon oxide molecule on a Platinum (111) surface. A four-component relativistic density functional method was applied to account for a proper description of the strong relativistic effects. A limited number of atoms in the framework of a cluster approach is used to describe the surface. Different adsorption sites are investigated. We found that CO is preferably adsorbed at the top position.

physics.atm-clus↗