Cargando...

Density Functional Theory for Steady-State Nonequilibrium Molecular Junctions

We present a density functional theory (DFT) for steady-state nonequilibrium quantum systems such as molecular junctions under a finite bias. Based on the steady-state nonequilibrium statistics that maps nonequilibrium to an effective equilibrium, we show that ground-state DFT (GS-DFT) is not applic...

Descrición completa

Gardado en:
Detalles Bibliográficos
Publicado en:Sci Rep
Main Authors: Liu, Shuanglong, Nurbawono, Argo, Zhang, Chun
Formato: Artigo
Idioma:Inglês
Publicado: Nature Publishing Group 2015
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC4608000/
https://ncbi.nlm.nih.gov/pubmed/26472080
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep15386
Tags: Engadir etiqueta
Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!