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The News of Altai State University
Print ISSN 1561-9443
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Content of 1-1(65) 2010
Management, Computer Facilities and Computer Science
Mathematics and Mechanics

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V.V. Popov

Aggregation of Neon Clusters

The method of calculation of spectral characteristics of excited states in clusters was offered. Excitations were described within the bounds of the electronic density functional method taking into consideration of the width of energetic levels. The task on eigenvalue of effective Kohn-Sham equation with exchange-correlated potentials of all types was solved by the Roothaan method in the basis of Gaussian functions. Neon clusters were chosen as an object of research. It was shown that excimers of neon could be generated in the fields of small excitations with atomic spacing on the order of 6 Bohr radii. Excimers of neon could be generated in the fields of large excitations with atomic spacing on the order of 2 Bohr radii.

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