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77-30569/347947 Application of the many-particle density functional method in the description of two-component systems
Engineering Education # 04, April 2012
The article covers workability of the density functional theory in systems consisting of two subsystems which include two various types of Fermi particles. At the description of similar systems, in particular, molecules and nanoclusters, the density functional method is carried out in the assumption that system properties can be described while considering the basic condition of non-uniform electronic gas moving in the potential created by motionless nuclear kernels. In this work it was shown that such an approach results in an error in definition of the basic energy of the system. Ways of quantitative estimation of this error were specified.
 
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