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Relativistic ab initio calculations for ion-atom collisions
(Richard, Patrick (Hrsg.), 1993)
Within the independent particle model we solve the time-dependent single-particle equation using ab initio SCF-DIRAC-FOCK-SLATER wavefunctions as a basis. To reinstate the many-particle aspect of the collision system we use the inclusive probability formalism to answer experimental questions. As an example we show an application to the case of S{^15+} on Ar where experimental data on the K-K charge transfer are available for a wide range of impact energies from 4.7 to 90 MeV. Our molecular adiabatic calculations and ...
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Relativistic effects in physics and chemistry of element 105. [Part] I.
(American Institute of Physics, 1992)
A detailed study of the electronic structure and bonding of the pentahalides of group 5 elements V, Nb, Ta, and element 105, hahnium (and Pa) has been carried out using relativistic molecular cluster Dirac-Slater discrete-variational method. A number of calculations have been performed for different geometries and molecular bond distances. The character of the bonding has been analyzed using the Mulliken population analysis of the molecular orbitals. It is shown that hahnium is a typical group 5 element. In a great ...
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Reduced L_1 level width and Coster-Kronig yields by relaxation and continuum interactions in atomic zinc
(1992)
Calculations of the level width \gamma( L_1) and the f_12 and f_13 Coster-Kronig yields for atomic zinc have been performed with Dirac-Fock wave functions. For \gamma(L_1), a large deviation between theory and evaluated data exists. We include the incomplete orthogonality of the electron orbitals as well as the interchannel interaction of the decaying states. Orbital relaxation reduces the total rates in all groups of the electron-emission spectrum by about 10-20 %. Different, however, is the effect of the continuum ...
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Elastic nuclear scattering at intermediate and relativistic energies
(1990)
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].
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Multiple vacancy inclusive probabilities for the scattering system 16 MeV S{^16+} on Ar
(1991)
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 ...
Aufsatz
Electronic structure and properties of the group 4, 5 and 6 highest chlorides including elements 104, 105, and 106
(1994)
Results of the Dirac-Slater discrete variational calculations for the group 4, 5, and 6 highest chlorides including elements 104, 105, and 106 have shown that the groups are not identical with respect to trends in the electronic structure and bonding. The charge density distribution data show that notwithstanding the basic increase in covalency within the groups this increase diminishes in going from group 4 to group 6. As a result, E106Cl_6 will be less stable toward thermal decomposition than WCl_6, which is confirmed ...
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The electronic structure of the group 6 oxyanions [MO_4]^2-, where M = Cr, Mo, W, and element 106
(1994)
The electronic structure of the group 6 oxyanions [MO_4]^2-, where M = Cr, Mo, W, and element 106 have been calculated using the Dirac-Slater Discrete Variational method. Results of the calculations show a relative decrease in the metal-oxygen bond strengths for the [E106O_4]^2- ion in the solid state compared to that for the [WO_4]^2- anion. Calculated energies of the electronic charge-transfer transitions are indicative of a strong possible luminescence of [El06O_4]^2- in the blue-violet area. In solutions [El06O_4]^2- ...
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Theoretical study of the physicochemical properties of the light transactinides
(1994)
A theoretical study of the physicochemical properties of elements 104, 105, and 106 and their compounds in the gas phase and aqueous solutions has been undertaken using relativistic atomic and molecular codes. Trends in properties such as bonding, ionization potentials, electron affinities, energies of electronic transitions, stabilities of oxidation states etc. have been defined within the corresponding chemical groups and within the transactinides.
These trends are shown to be determined by increasing relativistic ...
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Zu schön um wahr zu sein?
(Colloquium Psychoanalyse e.V., 1999)
Immer wieder und mit viel schlechtem Gewissen hat sich Freud mit der Frage auseinandergesetzt, inwieweit die Psychoanalyse Wissenschaft oder nicht vielmehr Kunst sei. So stellt er etwa fest, daß seine Krankengeschichten wie Novellen zu lesen seien, daß die psychoanalytische Methode einer spezifischen Kunstbetrachtung gleiche und daß die freie Assoziation ihre Vorläuferschaft in einer kreativen Methode der literarischen Produktion finde. Damit droht eine "Ästhetisierung der Erkenntnis", die spätestens seit Nietzsche ...
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Supervision: Kunst oder Wissenschaft?
(1999)
In der Betrachtung der Supervision begegnen sich zwei unterschiedliche Perspektiven. Einerseits wird Supervision als schlichte Anwendung wissenschaftlich gewonnener Erkenntnisse gewertet. Andererseits läßt sie sich jedoch auch als eine »Kunst« begreifen. Die Autoren gehen davon aus, daß sich professionelles supervisorisches Handeln nicht hierarchisch einem wissenschaftlichen Regelwerk unterstellen läßt, sondern daß beide Bereiche gleichberechtigt ihren je eigenen Diskurs- und Handlungsformen folgen. Sinnvoll scheint ...