Author(s)

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

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

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.

Nonlocality; Interfaces; Exchange-Correlation Potential; Graphene

Y. García, J. Cuffe, F. Alzina and C. Sotomayor-Torres, "Non Local Corrections to the Electronic Structure of Non Ideal Electron Gases: The Case of Graphene and Tyrosine," Journal of Modern Physics, Vol. 4 No. 4, 2013, pp. 522-527. doi: 10.4236/jmp.2013.44074.