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Document type:
Zeitschriftenaufsatz
Author(s):
Michelitsch, Georg S.; Reuter, Karsten
Title:
Efficient simulation of near-edge x-ray absorption fine structure (NEXAFS) in density-functional theory: Comparison of core-level constraining approaches
Journal title:
The Journal of Chemical Physics
Year:
2019
Journal volume:
150
Journal issue:
7
Pages contribution:
074104
Fulltext / DOI:
doi:10.1063/1.5083618
Publisher:
AIP Publishing
E-ISSN:
0021-96061089-7690
Date of publication:
21.02.2019
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