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




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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

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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.





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

Source: http://www.scirp.org/



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