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Tight binding study of the silicon self-interstitial in tetrahedral site

✍ Scribed by P. Pecheur; G. Toussaint


Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
196 KB
Volume
47
Category
Article
ISSN
0038-1098

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πŸ“œ SIMILAR VOLUMES


Systematic study of vibrational frequenc
✍ Henryk A. Witek; Keiji Morokuma πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 227 KB πŸ‘ 1 views

## Abstract We present a detailed study of harmonic vibrational frequencies obtained with the self‐consistent charge density functional tight‐binding (SCC‐DFTB) method. Our testing set comprises 66 molecules and 1304 distinct vibrational modes. Harmonic vibrational frequencies are computed using an