2003/12/19 by P. Delaney, Paul Delaney, Delaney, P. +3
Engineering · Physics and Astronomy · #Condensed Matter (cond-mat) #FOS: Physical sciences #Molecular Junctions and Nanostructures #Quantum and electron transport phenomena #Spectroscopy and Quantum Chemical Studies #cond-mat
paper · pdf · doi:10.48550/arxiv.cond-mat/0312522
4 pages with 3 figures
arxiv created 2003/12/19 · openalex publication_date 2003/12/19 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Theoretical and experimental values to date for the resistances of single molecules commonly disagree by orders of magnitude. By reformulating the transport problem using boundary conditions suitable for correlated many-electron systems, we approach electron transport across molecules from a new standpoint. Application of our correlated formalism to benzene-dithiol gives current-voltage characteristics close to experimental observations. The method can solve the open system quantum many-body problem accurately, treats spin exactly and is valid beyond the linear response regime.