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A tight-binding method for the evaluation of the total energy of large systems

โœ Scribed by M. J. Mehl; D. A. Papaconstantopoulos; R. E. Cohen

Publisher
Springer
Year
1995
Tongue
English
Weight
312 KB
Volume
16
Category
Article
ISSN
0195-928X

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The ionization potentials and cohesive energies of small Si n s 2 ; 13 clusters have been calculated using the tight n binding method based on Anderson's formalism. The matrix elements were obtained from the Slater-Koster terms using the universal parameters of Harrison. The structures of clusters w