The course aims to introduce students to the fundamentals and applications of Density Functional Theory (DFT) for the study of the electronic structure of materials.
UNIT I: Theoretical Foundations of DFT
Lecture 1: Introduction to Solid-State Physics
Lab 1: Introduction to Linux
Lecture 2: The Many-Body Problem
Lecture 3: Wavefunction Methods
Práctica (Lec 4): Hartree - Fcock
Lecture 5: Electron Density Methods - I
Lecture 6: Electron Density Methods - II
UNIT II: Practical Applications of DFT
Lecture 6: Presentation of the Course Plan. Course Introduction
Lab 2: Self-Consistent Field Calculations
Lab 3: Structural Optimization
Lab 4: Band Structure and Density of States
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Include the official course description from your institution. Include any other relevant information needed for students or others viewing to understand major themes, prerequisites, or if classes are exclusive for specific majors or degree tracks.
Include the official course description from your institution. Include any other relevant information needed for students or others viewing to understand major themes, prerequisites, or if classes are exclusive for specific majors or degree tracks.
Include the official course description from your institution. Include any other relevant information needed for students or others viewing to understand major themes, prerequisites, or if classes are exclusive for specific majors or degree tracks.