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Application of the method of tight binding for determining the excited bands of sodium and potassium

✍ Scribed by Roy C. Chaney; Franklin Dorman

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
370 KB
Volume
8
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES

Molecular tight-binding method. II. One-
Molecular tight-binding method. II. One- and many-electron method for excess electron bands of molecular crystals
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## Abstract An __ab initio__ method for calculating the energies of excess‐electron bands in a molecular crystal is developed. These energies represent the electron affinities of a crystal. The present method employs a tight‐binding approximation to describe the molecules in a crystal and a set of

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The bulk modulus of C60, Young's modulus of carbon nanotube, and the corresponding bond length are calculated by the tight binding method (M.J. Mehl and D.A. Papaconstantopoulos, Phys. Rev. B 54 (1996) 4519). The calculated bond lengths of C60 and the nanotube are in good agreement with experiments