𝔖 Bobbio Scriptorium
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Self consistent calculation of the charge density of 58Ni including a dynamical correction

✍ Scribed by M. Girod; D. Gogny

Book ID
113339160
Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
285 KB
Volume
64
Category
Article
ISSN
0370-2693

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📜 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 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 227 KB 👁 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