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Band structure of solids from clusters SCF potentials

Nour, Safouh
Published in International Journal of Quantum Chemistry. 1995, vol. 53, no. 8, p. 83-91
Abstract The possibilities and limits of the molecular orbital theory to deal with the problem of determining electronic structure of solids have been explored. A cluster model based on the charge neutrality in the solid has been used in test calculations on some III-V semiconductors and have given quite satisfactory results. Recommendations are given to widen the field of applications of this procedure.
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NOUR, Safouh, CHERMETTE, Henry. Band structure of solids from clusters SCF potentials. In: International Journal of Quantum Chemistry, 1995, vol. 53, n° 8, p. 83-91. https://archive-ouverte.unige.ch/unige:2850

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Deposited on : 2009-09-21

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