Correlated Electron Transport

TL;DR

This paper introduces a new correlated many-electron formalism for electron transport in molecules, achieving accurate current-voltage predictions that align closely with experimental data, and surpassing previous theoretical limitations.

Contribution

It presents a novel boundary-condition reformulation for correlated electron transport, enabling precise modeling of open quantum systems beyond linear response.

Findings

Current-voltage characteristics match experimental data for benzene-dithiol

Method accurately treats spin and many-body effects

Applicable to open quantum systems beyond linear response

Abstract

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.