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Development of a general approach to the modeling of free and confined polyatomic systems V. V. Melnikov, S. N. Yurchenko, P. Jensen, A. I. Potekaev

Contributor(s): Melnikov, Vladlen V | Jensen, Per | Potekaev, Aleksandr I, 1951- | Yurchenko, Sergei NMaterial type: ArticleArticleSubject(s): многоатомные системы | энергетические состояния | молекулярный водород | монокристаллический кремнийGenre/Form: статьи в журналах Online resources: Click here to access online In: Russian physics journal Vol. 58, № 8. P. 1040-1043Abstract: The concepts of the project ATOMSK are outlined. The project aims at developing a general approach to the theoretical study of free and localized polyatomic systems including the development of appropriate computational tools. Basic physical principles and general scheme of the approach are stated. Calculation of the energy states of molecular hydrogen in single-crystal silicon was considered as an example.
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The concepts of the project ATOMSK are outlined. The project aims at developing a general approach to the theoretical study of free and localized polyatomic systems including the development of appropriate computational tools. Basic physical principles and general scheme of the approach are stated. Calculation of the energy states of molecular hydrogen in single-crystal silicon was considered as an example.

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