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Now showing items 781-790 of 929
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
Test for basis-set errors in relativistic Dirac-Fock-Slater calculations with a numerical AO-DFS-basis
(1987)
A fully relativistic four-component Dirac-Fock-Slater program for diatomics,
with numerically given AO's as basis functions is presented. We discuss the problem of the errors due to the finite basis-set, and due to the influence of the negative energy solutions of the Dirac Hamiltonian. The negative continuum contributions are found to be very small.
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
Comparison between experiment and theory in heavy electronic systems
(Gräff, G. (Hrsg.), 1981)
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)