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Introduction to Density Functional Theory (PHYS 9110)
Basic Tools
Basic Tools
ABC of DFT by Kieron Burke and friends; Free Science pdf (2007)
Download Files
2week.pdf (1.61 MB )
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Course Material
Applications with Wien2K code
LAPW and FP-LAPW methods
Self-Interaction Correction (SIC) and Hybrid functional
Related Problems
Local Density Approximation (LDA) and Generalized Gradient approximation (GGA)
Problems
Exchange and Correlation
Kohn-Sham Theorems and Kohn-Sham equations
Difficulties when proceding with wavefunvtion methods
Thomas Fermi Model and Density functional Theory
Hartree-Fock equations
Hartree-Fock Theory
Quantum Many Body Problem
Many body problems
Basic Tools
Introduction
Chapters
16
Department
Physics
Teacher
Dr. Safdar Nazir