Web‐CONEXS: an inroad to theoretical X‐ray absorption spectroscopy
Web‐CONEXS: an inroad to theoretical X‐ray absorption spectroscopy
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Author / Creator
Publisher
5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of Crystallography
Journal title
Language
English
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Publication information
Publisher
5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of Crystallography
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Scope and Contents
Contents
Accurate analysis of the rich information contained within X‐ray spectra usually calls for detailed electronic structure theory simulations. However, density functional theory (DFT), time‐dependent DFT and many‐body perturbation theory calculations increasingly require the use of advanced codes running on high‐performance computing (HPC) facilities...
Alternative Titles
Full title
Web‐CONEXS: an inroad to theoretical X‐ray absorption spectroscopy
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Record Identifier
TN_cdi_doaj_primary_oai_doaj_org_article_f677fd44ae614bcda7f5f51e7c417129
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_f677fd44ae614bcda7f5f51e7c417129
Other Identifiers
ISSN
1600-5775,0909-0495
E-ISSN
1600-5775
DOI
10.1107/S1600577524005630
