Electronic properties of small neutral and charged beryllium clusters
- Citation data:
Journal of Chemical Physics, ISSN: 0021-9606, Vol: 113, Issue: 10, Page: 4083-4092
- Publication Year:
- Repository URL:
- https://scholar.dominican.edu/all-faculty/200; https://works.bepress.com/randall_hall/69
- Physics and Astronomy; Chemistry; charged clusters; Beryllium; angular momentum; annealing; atomic electronic properties; Physical Chemistry
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.