New PDF release: Advances in Quantum Chemistry
By J.R. Sabin (Eds.)
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Extra resources for Advances in Quantum Chemistry
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Once the Green functions have been obtained, together with the self-energies, they allow calculation of the quantities of interest. ðEÞÞ; (11) 26 Z. Bihary and M. A. Ratner or, combining the expressions (3) and (4) and noting the definition of G, we can also write: AðEÞ Z Gr ðEÞGGa ðEÞ: (12) The diagonal elements of the spectral function yield the local DOS at the corresponding site, while their sum, the trace, yields the DOS: 1 ½AðEÞii ; 2p (13) 1 Tr½AðEÞ: 2p (14) Nði; EÞ Z NðEÞ Z The current transmitted through the junction is given as an integral of the flux of electrons at the source (or, equivalently, at the emitter) over different energies: e O O !
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Advances in Quantum Chemistry by J.R. Sabin (Eds.)