Direct approach for the electron transport through molecules Academic Article uri icon


  • A very simple, straightforward, and easy to implement fully ab initio procedure for the determination of current-voltage characteristics in molecular junctions is presented. Application of this procedure predicts reasonably well the experimental findings for low bias voltages of a break junction experiment and can help us to characterize its geometry.

author list (cited authors)

  • Ortiz, D. O., & Seminario, J. M.

publication date

  • January 1, 2007 11:11 AM