Development, Optimization and Application of Density Functionals in Nanomaterials

Vol 2, 2023 - 165243
Pôster / Poster
Download
Favorite this paper
How to cite this paper?
Abstract

We propose the development and optimization of a new density functional capable of providing accurate results for the ground state energy of the Hubbard model - a paradigmatic model in theoretical chemistry, condensed matter physics and materials science.

Share your ideas or questions with the authors!

Did you know that the greatest stimulus in scientific and cultural development is curiosity? Leave your questions or suggestions to the author!

Sign in to interact

Have a question or suggestion? Share your feedback with the authors!

Institutions
  • 1 Universidade Estadual Paulista “Júlio de Mesquita Filho” / Instituto de Química
  • 2 Departamento de Matemática e Educação / Instituto Federal de São Paulo (IFSP) / Instituto Federal de São Paulo (IFSP), Campus Araraquara
  • 3 Universidade Estadual Paulista “Júlio de Mesquita Filho” - Campus Araraquara
Track
  • Density Functional Theory
Keywords
Density Functional Theory; Quantum Phase Transitions; Magnetic Suceptibility; Hubbard model