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Self-Consistent Calculation of Work Function, Charge Densities, and Local Densities of States for Cu(100)

✍ Scribed by Gay, J.; Smith, J.; Arlinghaus, F.

Book ID
115461919
Publisher
The American Physical Society
Year
1977
Tongue
English
Weight
314 KB
Volume
38
Category
Article
ISSN
0031-9007

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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