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Nonlocal properties of exchange and correlation potentials in band-structure calculations

✍ Scribed by A. W. Overhauser

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
34 KB
Volume
7
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES

Properties and structure of small cobalt
Properties and structure of small cobalt clusters.: Nonlocal density functional calculations
✍ P. MΕ‚ynarski; M. Iglesias; M. Pereiro; D. Baldomir; L. Wojtczak πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science 🌐 English βš– 287 KB

The results of self-consistent nonlocal (GGA) density functional calculations are reported for small cobalt clusters (n)6;13). An emphasis is made on a proper treatment of correlation effects. The magnetic as well as the bonding properties of these clusters are discussed in terms of a delicate balan