Lecture

Density Functional Theory: Summary

In course

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Description

This lecture covers Generalized Gradient Approximations (GGAs) and Meta-GGAs in Density Functional Theory (DFT), explaining the determination of parameters and different functional forms. It also discusses Hybrid and Double Hybrid functionals, as well as First-Principles Molecular Dynamics and QM/MM simulations. The lecture concludes with an overview of important features of Quantum Chemistry (QC) calculations.

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Instructor

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Official source

https://mediaspace.epfl.ch/media/0_wwdc3fum

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Ontological neighbourhood

Chemistry

Computational chemistry: Topics in computational chemistry

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