4 research outputs found
Emergence of Bulk CsCl Structure in (CsCl)nCs+ Cluster Ions
The emergence of CsCl bulk structure in (CsCl)nCs+ cluster ions is
investigated using a mixed quantum-mechanical/semiempirical theoretical
approach. We find that rhombic dodecahedral fragments (with bulk CsCl symmetry)
are more stable than rock-salt fragments after the completion of the fifth
rhombic dodecahedral atomic shell. From this size (n=184) on, a new set of
magic numbers should appear in the experimental mass spectra. We also propose
another experimental test for this transition, which explicitely involves the
electronic structure of the cluster. Finally, we perform more detailed
calculations in the size range n=31--33, where recent experimental
investigations have found indications of the presence of rhombic dodecahedral
(CsCl)32Cs+ isomers in the cluster beams.Comment: LaTeX file. 6 pages and 4 pictures. Accepted for publication in Phys.
Rev.
Model study on the photoassociation of a pair of trapped atoms into an ultralong-range molecule
Using the method of quantum-defect theory, we calculate the ultralong-range
molecular vibrational states near the dissociation threshold of a diatomic
molecular potential which asymptotically varies as . The properties of
these states are of considerable interest as they can be formed by
photoassociation (PA) of two ground state atoms. The Franck-Condon overlap
integrals between the harmonically trapped atom-pair states and the
ultralong-range molecular vibrational states are estimated and compared with
their values for a pair of untrapped free atoms in the low-energy scattering
state. We find that the binding between a pair of ground-state atoms by a
harmonic trap has significant effect on the Franck-Condon integrals and thus
can be used to influence PA. Trap-induced binding between two ground-state
atoms may facilitate coherent PA dynamics between the two atoms and the
photoassociated diatomic molecule.Comment: 11 pages, 4 figures, to appear in Phys. Rev. A (September, 2003