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Jupyter notebooks to accompany "The Embedding Method for Electronic Structure"

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embedding-notebooks

These are Jupyter notebooks to accompany "The Embedding Method for Electronic Structure", by John E. Inglesfield. This ebook is published by IOP Publishing, Bristol, UK, ISBN 978-0-7503-1042-0 as part of the Expanding Physics book programme.

The notebooks contain Python programs which can be run interactively, to illustrate various aspects of the embedding method. They will reproduce various models used in the book, and by varying parameters you can see how the embedding method works.

The first notebook, contained in this repository, contains simple programs which illustrate the embedding method applied to surface models. The following Python modules are needed: numpy, scipy, matplotlib. These are included automatically in the Anaconda distribution, for example.

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