Electronic properties of small neutral and charged beryllium clusters

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Journal of Chemical Physics, ISSN: 0021-9606, Vol: 113, Issue: 10, Page: 4083-4092

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https://scholar.dominican.edu/all-faculty/200; https://works.bepress.com/randall_hall/69
Kolchin, Andrew M.; Hall, Randall W.
AIP Publishing; This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. The following article appeared in Kolchin, A. M., & Hall, R. W. (2000). Electronic properties of small neutral and charged beryllium clusters. The Journal of Chemical Physics, 113(10), 4083-4092 and may be found at https://aip.scitation.org/doi/citedby/10.1063/1.1288388.
Physics and Astronomy; Chemistry; charged clusters; Beryllium; angular momentum; annealing; atomic electronic properties; Physical Chemistry
article description
Small neutral- and singly positively charged beryllium clusters were investigated based on density functional theory and local spin density approximation. Four out of the six atom clusters exhibited higher relative stability. Mulliken population analysis demonstrated the distribution of the hole with atomic sites and with regions of overlap between atom pairs.