Physics – Atomic and Molecular Clusters
Scientific paper
2009-08-28
Physics
Atomic and Molecular Clusters
Scientific paper
A series expansion of the interaction between a nucleus and its surrounding electron distribution provides terms that are well-known in the study of hyperfine interactions: the familiar quadrupole interaction and the less familiar hexadecapole interaction. If the penetration of electrons into the nucleus is taken into account, various corrections to these multipole interactions appear. The best known one is a scalar correction related to the isotope shift and the isomer shift. This paper discusses a related tensor correction, which modifies the quadrupole interaction if electrons penetrate the nucleus: the quadrupole shift. We describe the mathematical formalism and provide first-principles calculations of the quadrupole shift for a large set of solids. Fully relativistic calculations that explicitly take a finite nucleus into account turn out to be mandatory. Our analysis shows that the quadrupole shift becomes appreciably large for heavy elements. Implications for experimental high-precision studies of quadrupole interactions and quadrupole moment ratios are discussed. A literature review of other small quadrupole-like effects is presented as well.
Cottenier Stefaan
Koch Katrin
Koepernik Klaus
Neck Dimitri Van
Rosner Helge
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