Interpretive approach to collective effects of electrons in multicenter problems |
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Authors: | F. Despa and R. S. Berry |
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Affiliation: | (1) Department of Chemistry, The University of Chicago, Chicago, Illinois 60637, USA |
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Abstract: | Interpretive theoretical tools prove valuable in guidingthe analysis of experiments in the realm of atomic clusters.Here, we review basic elements of an analytic approach thatmakes it possible to find and visualize the effectiveelectrostatic potential and Coulomb correlations in multicenterproblems. To illustrate the utility of these concepts we applythem to exploring molecular-doped metallic clusters. This studyis aiming at a systematic, visual assessment of changes inducedin screening, Coulomb correlation and effective potential byvarying the charge of the electronegative impurity and itsposition in the cluster cage. |
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Keywords: | 36.40.Cg Electronic and magnetic properties ofclusters 36.40.Gk Plasma and collective effects inclusters 31.25.Qm Electron correlation calculations forpolyatomic molecules |
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