Lecture

Density Functional Theory: Common Problems and Solutions

In course

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Description

This lecture discusses the severe shortcomings of density functional approximations, such as missing dispersion interactions, self-interaction errors, and static correlation errors. It explores solutions like dispersion corrections, long-range corrected exchange, and perturbation theory. The lecture also covers charge-transfer excitations and the importance of non-local exchange for correct long-range charge transfer.

Official source

https://mediaspace.epfl.ch/media/0_6tezio23

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Ontological neighbourhood

Mathematics

Analysis: Measure theory

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