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

• 作者: Clivia M. Sotomayor-Torres Francesc Alzina John Cuffe Yamila García
• 来源期刊: 现代物理(英文)
• 学科: 医学
• 关键词: NONLOCALITY Interfaces EXCHANGE-CORRELATION Potential GRAPHENE
• 年，卷（期）: 2013,（4）
• 页码范围: 522-527
• 页数: 6页
• 分类号: R73

摘要

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.