83 citations · 797 across the 52 of their papers we have counts for
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cond-mat2003
Non-equilibrium Born-Oppenheimer potential energy surfaces for molecular wires
D. S. Kosov
We present a method for computing non-equilibrium, current-dependent Born-Oppenheimer potential energy surfaces for molecular wires. Calculations are performed for polyacetylene wi…
cond-mat2003★ 52 cited
Kohn-Sham equations for nanowires with direct current
D. S. Kosov
The paper describes the derivation of the Kohn-Sham equations for a nanowire with direct current. A value of the electron current enters the problem as an input via a subsidiary co…