Article citationsMore>>

F. M. Bickelhaupt, “Understanding Reactivity with Kohn-Sham MO Theory. The E2-SN2 Mechanistic Spectrum and Other Concepts,” Journal of Computational Chemistry, Vol. 20, No. 1, 1999, pp. 114-128. doi:10.1002/(SICI)1096-987X(19990115)20:1<114::AID-JCC12>3.0.CO;2-L

has been cited by the following article:

• 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.