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Berkeley XAS
Calculate core level x-ray absorption spectra for molecules and crystals
Version 1.0.1 - published on 29 Mar 2016
doi:10.4231/D3DJ58H85 cite this
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Abstract
The Berkeley XAS tool is suitable for the calculation of K-edge spectra of molecular systems.
Tool overview available at https://docs.google.com/present/edit?id=0AWZVKNsRXgTbZGdwMzZreGZfMTRjZDdqMzgyZw (outdated)
Berkeley XAS currently has support for the following atomic species: H, C, N, O
Experimental data taken from the Hitchcock Group's Core Excitation Database: http://unicorn.mcmaster.ca/corex/cedb-title.html
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