Lecture

Density Functional Theory: Fundamentals

In course

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Description

This lecture introduces Density Functional Theory (DFT) as an alternative method to solve the electronic Schrodinger equation, focusing on the electron density as a central quantity. It covers the reasons for DFT's popularity, its practical and physical advantages, and its applications in chemistry. The lecture also discusses functionals, functional derivatives, and the solution of the electronic Schrodinger equation with approximate exchange and correlation effects.

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Instructor

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Official source

https://mediaspace.epfl.ch/media/0_4r9w1hgf

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Ontological neighbourhood

Chemistry

Inorganic chemistry: Coordination chemistry

Computational chemistry: Topics in computational chemistry

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