Non Local Corrections to the Electronic Structure of Non Ideal Electron Gases: The Case of Graphene and Tyrosine

Yamila García, John Cuffe, Francesc Alzina, Clivia M. Sotomayor-Torres

Catalan Institute of Nanotechnology (CIN2-CSIC), Campus UAB, Bellaterra, Spain.

DOI: 10.4236/jmp.2013.44074                

Abstract

We introduce a formal definition of a non local functional and show that the non local exchange-correlation potential functional, derived within Density-Functional Theory, is non local in the space of electronic densities. A previously developed non local exchange-correlation potential term, is introduced to approach the exact density-functional potential. With this approach, the electronic structure of the graphene surface and the tyrosine amino acid are calculated.

Keywords

Nonlocality; Interfaces; Exchange-Correlation Potential; Graphene

Conflicts of Interest

The authors declare no conflicts of interest.

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