Resumen

In this thesis, we conduct a thorough analysis of the statistical properties associated with the band structures of Silicon and Cerium. Our research shows that Density Functional Theory (DFT) calculations can indeed exhibit quantum chaos, aligning with the predictions of Random Matrix Theory. Furthermore, our investigation explores the influence of the Hubbard correction on the Cerium band structure, a correction essential for precise descriptions of strongly correlated systems. We study the relationship between the manifestation of chaotic behavior and the use of varying values for this correction. We find that our results for Silicon closely mirror the discoveries of Mucciolo and collaborators. Additionally, we successfully diagnose chaotic behavior in certain Cerium calculations.

Palabras clave: Silicon, Cerium, Random Matrix Theory, Level Spacing, Velocity.

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Table of content

Portada

Índices

Capítulo 1. Introduction

Capítulo 2. Theoretical Background

Capítulo 3. Results and Discussion

Capítulo 4. Conclusions

Referencias

Apéndice 5.1. Band structure

Apéndice 5.2. Level Spacing distributions

Apéndice 5.3. Velocity distributions

Full document (archivo pdf, 11 mb)

González Téllez, Z. 2023. Influence of Electronic Correlations on the Study of Quantum Chaos in Simple Metals. Tesis Licenciatura. Física. Departamento de Actuaría, Física y Matemáticas, Escuela de Ciencias, Universidad de las Américas Puebla. Diciembre. Derechos Reservados © 2023.