article Open AccessTop 1% cited
First-principles based matrix Green's function approach to molecular electronic devices: general formalism
Chemical Physics · 2002 · Vol. 281(2-3) · pp. 151–170
Yongqiang Xue✉(Purdue University West Lafayette)Supriyo Datta(Purdue University West Lafayette)Mark A. Ratner(Northwestern University)
Molecular Junctions and NanostructuresQuantum and electron transport phenomenaForce Microscopy Techniques and ApplicationsMesoscopic physicsMolecular electronicsElectronic structureDensity functional theoryChemistryStatistical physicsDensity matrixQuantum mechanicsQuantumPhysics
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