Density Functional Theory: Basics and Improvements

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Covers the precursors of Kohn-Sham Density Functional Theory (DFT) and the Kohn-Sham formulation, explaining types of Exc[p] approximations and the performance of LDA.

Quantum Chemistry Fundamentals

Introduces the fundamentals of quantum chemistry, including Hartree-Fock wavefunctions and density functional theory.

First-Principles Molecular Dynamics: Uncertainty Quantification

Explores first-principles molecular dynamics in studying complex heterostructures and strategies to reduce computational cost.

Density Functional Theory: Common Problems and Solutions

Explores the limitations of density functional approximations and solutions for accurate charge-transfer excitations.

Density Functional Theory: Foundations and Applications

Explores Density Functional Theory, its foundations, practical applications, functionals, and challenges in kinetic energy expression.

Density Functional Theory: Fundamentals

Covers the fundamentals of Density Functional Theory, including its popularity, practical advantages, and applications in chemistry.

Q&A Session: Written Exam Details and Electronic Structure Methods

Covers written exam details and electronic structure methods for computational chemistry.

Density Functional Theory

Covers the Density Functional Theory, including the Hartree-Fock method and the Kohn-Sham scheme.

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Density Functional Theory and Tight-Binding Models

Explores modeling multilayer 2D materials, tight-binding models, and electrical conductivity in materials, emphasizing the importance of symmetries and reduced models.