Geodesic
Theoretical methods of nanostructures investigation
Vestnik Samarskogo universiteta. Estestvennonaučnaâ seriâ, no. 9 (2012), pp. 106-117 Cet article a éte moissonné depuis la source Math-Net.Ru

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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. 
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     title = {Theoretical methods of nanostructures investigation},
     journal = {Vestnik Samarskogo universiteta. Estestvennonau\v{c}na\^a seri\^a},
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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 universiteta. Estestvennonaučnaâ seriâ, no. 9 (2012), pp. 106-117. http://geodesic.mathdoc.fr/item/VSGU_2012_9_a10/

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