Fullerene-based molecular nanobridges: A first-principles study

Instituto de Ciencia de Materiales de Madrid (CSIC), Cantoblanco, Madrid 28049, Spain~Received 25 May 2001; published 24 August 2001!Building upon traditional quantum-chemistry calculations, we have implemented an ab initio method tostudy the electrical transport in nanocontacts. We illustrate our technique calculating the conductance of C