A First-Principles Method for Open Electronic Systems
| dc.creator | Zheng, Xiao | |
| dc.creator | Wang, Fan | |
| dc.creator | Chen, GuanHua | |
| dc.date | 2006-06-20 | |
| dc.date.accessioned | 2026-07-07T07:19:05Z | |
| dc.date.available | 2026-07-07T07:19:05Z | |
| dc.description | We prove that the electron density function of a real physical system can be uniquely determined by its values on any finite subsystem. This establishes the existence of a rigorous density-functional theory for any open electronic system. By introducing a new density functional for dissipative interactions between the reduced system and its environment, we subsequently develop a time-dependent density-functional theory which depends in principle only on the electron density of the reduced system. In the steady-state limit, the conventional first-principles nonequilibrium Green's function formulation for the current is recovered. A practical scheme is proposed for the new density functional: the wide-band limit approximation, which is applied to simulate the transient current through a model molecular device. | |
| dc.description | 10 pages, 6 figures | |
| dc.identifier | https://arxiv.org/abs/quant-ph/0606169 | |
| dc.identifier | http://arxiv.org/abs/quant-ph/0606169 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/114534 | |
| dc.subject | Quantum Physics | |
| dc.title | A First-Principles Method for Open Electronic Systems | |
| dc.type | text |