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- Title:
Efficient simulation of near-edge x-ray absorption fine structure (NEXAFS) in density-functional theory: Comparison of core-level constraining approaches
- Document type:
- Zeitschriftenaufsatz
- Author(s):
- Michelitsch, Georg S.; Reuter, Karsten
- 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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