The Tight-Binding method: application to AB s-valent dimer

Details The Tight-Binding method: application to AB s-valent dimer The Tight-Binding method: application to AB s-valent dimer

2011-12-20

arxiv.org/abs/1112.4638v1

Physics

Condensed Matter

Materials Science

25 pages, 7 figures

Scientific paper

The AB s-valent dimer is used to analyse bond formation and charge transfer
within the tight-binding (TB) approximation. In this way a physical
interpretation of the electronic structure and binding energy within density
functional theory (DFT) is obtained which lends itself to the derivation of
covalent and ionic interatomic potentials.

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