Density-functional theory treatment to the Kondo effect

• Grant number: 10/18532-0
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: February 01, 2011
• End date: March 31, 2012
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Vivaldo Leiria Campo Junior
• Grantee: Willian Massashi Hisano Natori
• Host Institution: Centro de Ciências Exatas e de Tecnologia (CCET). Universidade Federal de São Carlos (UFSCAR). São Carlos , SP, Brazil

Abstract

This project aims to allow the student 1. to become familiar with density-functional theory (DFT), which underlies the most of computational codes to simulate electronic and structural properties of molecules and solids; 2. to become familiar with the Kondo effect, which is a key effect in theoretical condensed-matter physics; 3. to aply DFT to the Kondo model. The work will follow theidea of reverse engineering: the student firstly will develop a computational code to determine theexact exchange-correlation potential from the electronic density. The student will be able to compare the exact potential with approximate potentials obtained using standard procedures andwill be able to detect the failures of such approximate procedures.