Dynamical corrections to the DFT-LDA electron conductance in nanoscale systems
| dc.creator | Sai, Na | |
| dc.creator | Zwolak, Michael | |
| dc.creator | Vignale, Giovanni | |
| dc.creator | Di Ventra, Massimiliano | |
| dc.date | 2004-11-04 | |
| dc.date | 2005-02-21 | |
| dc.date.accessioned | 2026-07-07T03:01:52Z | |
| dc.date.available | 2026-07-07T03:01:52Z | |
| dc.description | Using time-dependent current-density functional theory, we derive analytically the dynamical exchange-correlation correction to the DC conductance of nanoscale junctions. The correction pertains to the conductance calculated in the zero-frequency limit of time-dependent density-functional theory within the adiabatic local-density approximation. In particular, we show that in linear response the correction depends non-linearly on the gradient of the electron density; thus, it is more pronounced for molecular junctions than for quantum point contacts. We provide specific numerical examples to illustrate these findings. | |
| dc.description | 4 pages, 3 figures, revised version | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0411098 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0411098 | |
| dc.identifier | Phys. Rev. Lett. 94, 186810 (2005) | |
| dc.identifier | doi:10.1103/PhysRevLett.94.186810 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/25203 | |
| dc.subject | Mesoscale and Nanoscale Physics | |
| dc.subject | Materials Science | |
| dc.title | Dynamical corrections to the DFT-LDA electron conductance in nanoscale systems | |
| dc.type | text |