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Vestnik SamGU. Estestvenno-Nauchnaya Ser., 2012, Issue 9(100), Pages 106–117 (Mi vsgu104)  
Mathematic Modeling

Theoretical methods of nanostructures investigation

O. E. Glukhova, I. V. Kirillova, I. N. Salii, A. S. Kolesnikova, E. L. Kossovich, M. M. Slepchenkov, A. N. Savin, D. S. Shmygin

Saratov State University, Saratov, 410012, Russian Federation
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Abstract: In this work, a review is presented concerning the most modern theoretical methods aimed at investigation of various nanostructures properties. The basic concepts of ab initio methods, density functional, semi-empirical and empirical methods are considered. The applicability boundaries of calculation schemes utilized in the aforementioned methods are denoted.
Keywords: molecular mechanics, tight binding approximation, Hamiltonian, coarse-grained model, density functional, Lennard-Jones potential, molecular orbital.
Received: 18.09.2012
Revised: 18.09.2012
Document Type: Article
UDC: 541.61/.614
Language: Russian
Citation: O. E. Glukhova, I. V. Kirillova, I. N. Salii, A. S. Kolesnikova, E. L. Kossovich, M. M. Slepchenkov, A. N. Savin, D. S. Shmygin, “Theoretical methods of nanostructures investigation”, Vestnik Samarskogo Gosudarstvennogo Universiteta. Estestvenno-Nauchnaya Seriya, 2012, no. 9(100), 106–117
Citation in format AMSBIB
\Bibitem{GluKirSal12}
\by O.~E.~Glukhova, I.~V.~Kirillova, I.~N.~Salii, A.~S.~Kolesnikova, E.~L.~Kossovich, M.~M.~Slepchenkov, A.~N.~Savin, D.~S.~Shmygin
\paper Theoretical methods of nanostructures investigation
\jour Vestnik Samarskogo Gosudarstvennogo Universiteta. Estestvenno-Nauchnaya Seriya
\yr 2012
\issue 9(100)
\pages 106--117
\mathnet{http://mi.mathnet.ru/vsgu104}
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