Beruflich Dokumente
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q 1 2
I= [ f 1( ) - f 2( )]
h 1+ 2
f L (w) f R (w)Tr G G
e dw
J= R r L a
h 2
Single energy level, Hamiltonian of system, H
fL,R Fermi function of the left (right) electrode
L, R coupling matrix of the left (right) electrode
Gr,a retarded (advanced) Green's function
Greens Function for Molecule
al
G(w) = + (|l l |)
l w l
|l = d k |k atomic
k
|k atomic k-th atomic orbital