TITLE:
Non Local Corrections to the Electronic Structure of Non Ideal Electron Gases: The Case of Graphene and Tyrosine
AUTHORS:
Yamila García, John Cuffe, Francesc Alzina, Clivia M. Sotomayor-Torres
KEYWORDS:
Nonlocality; Interfaces; Exchange-Correlation Potential; Graphene
JOURNAL NAME:
Journal of Modern Physics,
Vol.4 No.4,
April
29,
2013
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.