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UDK: 004.946

2016. - V. 30. - N 4(173). - P. 33-35

Leonid Olegovich Khoroshavin, Dmitry Olegovich Krasnov, Pavel Nikolaevich Dyachkov, Eleonora Moiseevna Koltsova,

PROGRAM COMPLEX FOR MODELING OF ELECTRONIC PROPERTIES OF SINGLE WALLED NANOTUBES

The program complex developed by the authors has been changed to provide simulation of the electronic structure of the nanotubes with custom elementary cell geometry and composition, in particular of gold nanotubes. Performed quantum mechanical calculation of the electronic structure of nanotubes Au (4,4) using the linearized augmented cylindrical waves.

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ПРОГРАММНЫЙ КОМПЛЕКС ДЛЯ МОДЕЛИРОВАНИЯ ЭЛЕКТРОННЫХ СВОЙСТВ ОДНОСЛОЙНЫХ НАНОТРУБОК

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Keywords

client-server application   high-performance computing   modeling   nanotubes   высокопроизводительные вычисления   клиент-серверное приложение   МОДЕЛИРОВАНИЕ   нанотрубки  


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