Cyclic Cluster Approach to Three-Dimensional Solids:  Quasi-Rrelativistic INDO Treatment

A recent implementation of the cluster crystal orbital (CCO) method for electron structure calculations of solids within the quasi-relativistic INDO treatment has been tested for a wide scale of model systems including insulators, semiconductors, metals, semimetals, and superconductors. Within the m...

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Veröffentlicht in:	The journal of physical chemistry. B 2000-03, Vol.104 (8), p.1708-1714
Hauptverfasser:	Zajac, A, Pelikán, P, Noga, J, Baňacky, P, Biskupič, S, Svrček, M
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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