ENERGY AND KINETIC PROPERTIES
Vlasov, V. V.
state pedagogical university,
Received June 27, 2011,
after additions - August 22, 2011
Abstract. The analysis of quantum chemical methods for calculating
the structural, energy and transport
parameters of silicon nanoparticles.
The effect of the charge structure on the physical parameters of the
nanoparticles determine the properties
of charge transfer. It is shown that
for a qualitative assessment of the properties of stability, geometry and electronic structure of silicon nanoparticles can use the method NDDO PM3. The results of
optimization of atomic structure, calculation and analysis of electronic properties of silicon clusters
Keywords: semiconductor nanoparticles, silicon, quantum-chemical
methods, the energy characteristics.