Study of density functionals for the Hubbard Model in two and three dimensions

• Grant number: 14/00127-3
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: March 01, 2014
• End date: December 31, 2014
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Vivaldo Leiria Campo Junior
• Grantee: Luana Nayara Pires Vilela
• Host Institution: Centro de Ciências Exatas e de Tecnologia (CCET). Universidade Federal de São Carlos (UFSCAR). São Carlos , SP, Brazil

Abstract

This projects aims: 1. to let the student becomes familiar with the density functional theory (DFT), that is fundamental for the most of the computational simulations of electronic propertis of molecules and solids; 2. to let the student becomes familiar with the Hubbard model, that plays a central role in theoretical condensed matter physics; 3. to generalize the idea of dimensional scaling [1,2] (tested only for the half-filled case) to arbitrary site-occupations, leading to density functionals for the Hubbard model in 2 and 3 dimensions, where exact solutions are not known.1 - K. Capelle and L. N. Oliveira. Phys. Rev. B, 73:113111, 20062 - K. Capelle and V. L. Campo. Phys. Rep., 528:91, 2013. (AU)