Properties of cold atoms via density-functional-theory calculations

• Grant number: 21/02336-2
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: May 01, 2021
• End date: December 31, 2022
• Field of knowledge: Physical Sciences and Mathematics - Chemistry
• Principal Investigator: Vivian Vanessa França Henn
• Grantee: Marina Heloysa Sanino da Silva
• Host Institution: Instituto de Química (IQ). Universidade Estadual Paulista (UNESP). Campus de Araraquara. Araraquara , SP, Brazil

Abstract

Technological devices involving nanostructured materials have become a reality in special due to the progress on the experimental control of cold atoms systems and in the deposition of atoms or molecules to compose the nanostructures. However in order to maximize the use of such nanostructured devices one needs to theoretically investigate their properties, what certainly requires the quantum treatment of complex systems. In this respect, density functional theory (DFT) appears as a powerful computational method to the study of nanostructures. In this proposal we aim to investigate the properties of cold atoms as described by the Hubbard model via DFT calculations. Among the properties that we will investigate are the energy, the density profiles and the degree of entanglement. This latter in particular is a essential ingredient to the development of new devices for processing quantum information.