Calculating Hyperfine Couplings in Large Ionic Crystals Containing Hundreds of QM Atoms: Subsystem DFT Is the Key

Title
Calculating Hyperfine Couplings in Large Ionic Crystals Containing Hundreds of QM Atoms: Subsystem DFT Is the Key
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 117, Issue 45, Pages 13967-13974
Publisher
American Chemical Society (ACS)
Online
2013-10-17
DOI
10.1021/jp405154d

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