Search
Now showing items 31-40 of 132
Aufsatz
Self-consistent relativistic molecular calculations of superheavy molecules: (_110 X)F_6
(1978)
Using new relativistic molecular calculations within the Dirac-Slater scheme it is now
feasible to study theoretically molecules containing superheavy elements. This opens a
new era for the prediction of the physics and chemistry of superheavy elements. As an
example we present the results for (_110 X) F_6, where it is shown that relativistic effects are nearly of the same order of magnitude as the crystal-field splitting.
Aufsatz
Beam-foil-excited auger transitions in neon
(1975)
Energy spectra of electrons ejected from collisions between a carbon foil and Ne
projectiles with energies between 1.4 and 20 MeV have been measured. Continuous and
discrete electron energy distributions are observed. Auger transitions of foil-excited Ne have been studied. Using relativistic Dirac-Fock multiconfiguration calculations, most of the measured Auger transitions have been identified.
Aufsatz
Electronic structure of UF_5
(1979)
Non-relativistic and relativistic self-consistent Hartree- Fock-Slater and Dirac-Slater models have been used to calculate one-electron energy levels and ionization energies for UF_5. The calculations were performed in an assumed structure of C_4v symmetry with the uranium atom at the center of mass of the molecule. The spacing and level ordering are compared
with earlier results obtained with the MS X\alpha method using the muffin-tin approximation. Connections with the multiphoton isotope separation scheme of UF_6 ...
Aufsatz
The continuation of the periodic table up to Z = 172.
(1970)
The chemical elements up to Z = 172 are calculated with a relativistic Hartree-Fock-Slater
program taking into account the effect of the extended nucleus. Predictions of the binding energies, the X-ray spectra and the number of electrons inside the nuclei are given for the inner electron shells.
The predicted chemical behaviour will be discussed for a11 elements between Z = 104-120 and compared with previous known extrapolations. For the elements Z = 121-172 predictions of their chemistry and a proposal for the ...
Aufsatz
Relativistic effects in physics and chemistry of element 105. [Part] IV.
(1993)
Results of relativistic (Dirac-Slater and Dirac-Fock) and nonrelativistic (Hartree-Fock-Slater) atomic and molecular calculations have been compared for the group 5 elements Nb, Ta, and Ha and their compounds MCl_5, to elucidate the influence of relativistic effects on their
properties especially in going from the 5d element Ta to the 6d element Ha. The analysis of the radial distribution of the valence electrons of the metals for electronic configurations obtained as a result of the molecular calculations and their ...
Aufsatz
Zur Vakuumpolarisation in Myonenatomen
(1969)
The various approximations of vacuum polarization potential and the higher order
corrections up to \alpha^3 are reviewed and quantitatively dicussed. The quadrupol part of the vacuum polarization is established. It leads rather straight forward to a small
contribution of vacuum polarization to nuclear polarization. These effects are quantitatively investigated.
Aufsatz
The problem of noncharacteristic quasimolecular X-rays in heavy ion collision
(1976)
Quasi-molecular X-rays observed in heavy ion collisions are interpreted within a relativistic calculation of correlation diagrams using the Dirac-Slater model. A semiquantitative description of noncharacteristic M X rays is given for the system Au-I.
Aufsatz
Interpretation of quasimolecular L X-rays in heavy-ion collisions
(1977)
Using a relativistic selfconsistent correlation diagram a first interpretation of the shape and position of L MO X-rays is given within a quasi-adiabatic model.
Aufsatz
Kr - Kr correlation diagram and its use in heavy-ion collisions
(1981)
A realistic self-consistent charge correlation diagram calculation of the Kr{^2+} - Kr{^2+} system has been performed. We get excellent agreement for the 4(3/2)_u level with an experimentally observed MO level at large distances. Possible reasons for discrepancies
between experiment and theory at small distances are discussed.
Aufsatz
Inclusive probabilities for the scattering system 16 MeV-S{^16+} on Ar
(1991)
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.