Effective Field Theory of Interacting \pi-Electrons
Mesoscale and Nanoscale Physics
2015-03-19 v4
Abstract
We develop a \pi-electron effective field theory (\pi-EFT) wherein the two-body Hamiltonian for a \pi-electron system is expressed in terms of three effective parameters: the \pi-orbital quadrupole moment, the on-site repulsion, and a dielectric constant. As a first application of this \pi-EFT, we develop a model of screening in molecular junctions based on image multipole moments, and use this to investigate the reduction of the HOMO-LUMO gap of benzene. Beyond this, we also use \pi-EFT to calculate the differential conductance spectrum of the prototypical benzenedithiol-Au single-molecule junction and the \pi-electron contribution to the van der Waals interaction between benzene and a metallic electrode.
Keywords
Cite
@article{arxiv.1108.0021,
title = {Effective Field Theory of Interacting \pi-Electrons},
author = {Joshua D. Barr and Justin P. Bergfield and Charles A. Stafford},
journal= {arXiv preprint arXiv:1108.0021},
year = {2015}
}
Comments
13 pages, 9 figures