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Spin contamination in density functional theory | Researchclopedia

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Spin contamination in density functional theory

1993299 citationsJournal Article

Authors

Andrew C. Scheiner

Topics & Keywords

Advanced Chemical Physics Studies Spectroscopy and Quantum Chemical Studies Magnetism in coordination complexes

UN Sustainable Development Goals

Clean water and sanitation

Publication Details

Published in: Chemical Physics Letters

Volume 216, Issue 3-6, pp. 380-388

DOI: 10.1016/0009-2614(93)90113-f

Field-Weighted Citation Impact: 8.93