Abstract
AbstractAn overview of a many‐body approach to calculation of electronic transport in molecular systems is given. The physics required to describe electronic transport through a molecule at the many‐body level, without relying on commonly made assumptions such as the Landauer formalism or linear response theory, is discussed. Physically, our method relies on the incorporation of scattering boundary conditions into a many‐body wavefunction and application of the maximum entropy principle to the transport region. Mathematically, this simple physical model translates into a constrained nonlinear optimization problem. A strategy for solving the constrained optimization problem is given. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.