Ewald Summation: Electrostatic Coulomb Energy

In course

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Description

This lecture covers the Ewald summation method for calculating electrostatic Coulomb energy in periodic systems. It discusses the challenges with diverging energy for charged unit cells, the decomposition of energy, and the Gaussian screening charges. The instructor explains the importance of balancing calculations between real space and Fourier space.

Instructor

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Official source

https://mediaspace.epfl.ch/media/0_tpv695m0

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Ontological neighbourhood

Information engineering

Signal processing: Fourier analysis

Mathematics

Algebra: Linear algebra

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