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Influence of the structure of fullerene molecules on their clusterization in the crystalline matrix

โœ Scribed by E. F. Sheka; B. S. Razbirin; A. N. Starukhin; D. K. Nelson; M. Yu. Degunov; G. M. Fazleeva; V. P. Gubskaya; I. A. Nuretdinov

Book ID
111446682
Publisher
SP MAIK Nauka/Interperiodica
Year
2009
Tongue
English
Weight
291 KB
Volume
51
Category
Article
ISSN
1063-7834

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Density matrix of crystalline systems. I
Density matrix of crystalline systems. II. The influence of structural and computational parameters
โœ C. Pisani; E. Aprร ; M. Causร ; R. Orlando ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 671 KB

## Abstract The oneโ€electron density matrix (DM) of a number of crystalline systemsโ€”lithium, graphite, boron nitride, silicon, and berylliumโ€”are considered here, as resulting from Hartreeโ€“Fockโ€“SCFโ€LCAO calculations. The influence of structural and computational parameters is discussed. It is shown