Formalism, analytical model, and a priori Green's-function-based calculations of the current-voltage characteristics of molecular wires

By L. E. Hall, Jeffrey R. Reimers, N. Hush, Kia Silverbrook. 2000

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Driven quantum transport on the nanoscale (2004, background): “are modeled by a tight-binding lattice, the Γℓ(ǫ) assume a semielliptic shape, the so-called Newns-Anderson density of states [104], which is sometimes employed in the context of molecular conduction [20,105,106]. Within the present context, however, we are mainly interested in the inﬂuence of the d”
Architectures for molecular electronic computers. I. Logic structures and an adder designed from molecular electronic diodes (2000, background): “[31], [32] have begun to establish a set of computational approaches and a qualitative mechanistic framework [24], [25] for the detailed interpretation of electrical conduction in small organic molecules.”