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Aufsatz
Model calculations on the influence of quantum electrodynamical effects on the chemistry of superheavy elements.
(1972)
Using a phenomenological model, the influence of quantum electrodynamical effects on the prediction of the chemical behavior of superheavy elements within a relativistic Dirac-Slater calculation was investigated. This influence will be small and nondetectable for elements up to Z = 114. For elements near Z = 164 some changes in the ground state configurations occur but the chemical behavior will not change. Using this heuristic model, it is also possible to calculate elements beyond Z = 175. As an example we have ...
Aufsatz
Effect of nuclear motion on the energy eigenvalues in muonic atoms
(1973)
I have investigated the effect of the nuclear motion on the energy eigenvalues in muonic
atoms. In addition to the usually used reduced-mass correction, I have calculated the relativistic influences including the magnetic and retardation interaction between the nucleus and the muon for the inner orbitals of muonic atoms.
Aufsatz
Electronic configuration in the ground state of atomic lawrencium
(1974)
Self-consistent relativistic Dirac-Hartree-Fock calculations have been made of some lowlying electronic energies for the atoms of all elements in ground-state ds^2 electron configurations.
The results indicate that, contrary to some previous estimates, the ground electronic
state of atomic Lr could be in either the 5f^14 6d7s^2 or the 5f^14 7p 7s^2 electron configuration.
The separation between the lowest energy level of the 5f^14 6d7s^2 configuration and the lowest energy level of the 5f^14 7p7s^2 configuration ...
Aufsatz
Relativistic many-electron SCF correlation diagram for Pb-Pb
(Fabian, Derek J. (Hrsg.), 1981)
Aufsatz
Accurate Hartree-Fock-Slater calculations on small diatomic molecules with the finite-element method
(1988)
We report on the self-consistent field solution of the Hartree-Fock-Slater equations using the finite-element method for the three small diatomic molecules N_2, BH and CO as examples. The quality of the results is not only better by two orders of magnitude than the fully numerical finite difference method of Laaksonen et al. but the method also requires a smaller number of grid points.
Aufsatz
Solution of the time dependent Dirac-Fock-Slater equation for many-electron collisions systems using a time window method
(1994)
We present a new scheme to solve the time dependent Dirac-Fock-Slater equation (TDDFS) for heavy many electron ion-atom collision systems. Up to now time independent self consistent molecular orbitals have been used to expand the time dependent wavefunction and rather complicated potential coupling matrix elements have been neglected. Our idea is to
minimize the potential coupling by using the time dependent electronic density to generate molecular basis functions. We present the first results for 16 MeV S{^16+} on Ar.
Aufsatz
Ground state correlation energy of the Be-sequence for Z = 4-20 in MCDF approximation
(1989)
The ground state (J = 0) electronic correlation energy of the 4-electron Be-sequence is calculated in the Multi-Configuration Dirac-Fock approximation for Z = 4-20. The 4 electrons were distributed over the configurations arising from the 1s, 2s, 2p, 3s, 3p and 3d orbitals. Theoretical values obtained here are in good agreement with experimental correlation energies.
Aufsatz
Self-energy corrections in heavy muonic atoms
(1978)
Self-energy corrections for ls_1/2 levels of heavy muonic atoms are calculated to all orders in the external field using numerical techniques to evaluate the bound-muon propagator. The resulting values of the selfenergy are about 10% larger than previous estimates.