MAVENs
MAVENs
Home
Research
People
Members
Alumni
Open Positions
Publications
Resources
Lectures and Tutorials
Software
News
Contact
Part I — Foundations
Introduction
Introduction to DFT
Jul 27, 2024
Hohenberg-Kohn Theorem
Hohenberg–Kohn Theorem
Jun 1, 2025
Kohn-Sham Equations
Kohn-Sham Equations
Jun 1, 2025
Exchange-Correlation Functionals
The XC landscape derived from two systematic expansions
Jun 1, 2025
Basis Sets and Pseudopotentials
Plane waves, localised orbitals, PAW, and convergence
Jun 1, 2025
Spin-Polarised DFT and Magnetism
SDFT formalism, magnetic ordering, exchange coupling, MAE and SOC
Jun 1, 2025
DFT+U: Hubbard Correction for Correlated Electrons
The DFT+U method — motivation, Hubbard model, Dudarev and Liechtenstein formulations, double counting, and practical application
Jun 1, 2025
Cite
×