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Self-consistent tight-binding calculations of electronic and optical properties of semiconductor nanostructures

✍ Scribed by Aldo Di Carlo; Sara Pescetelli; Marco Paciotti; Paolo Lugli; Martin Graf

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
507 KB
Volume
98
Category
Article
ISSN
0038-1098

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πŸ“œ SIMILAR VOLUMES

Systematic study of vibrational frequenc
Systematic study of vibrational frequencies calculated with the self-consistent charge density functional tight-binding method
✍ 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