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Journal: Molecules, 2019
Volume: 24
Number: 505
Article:
Extent of Spin Contamination Errors in DFT/Plane-wave Calculation of Surfaces: A Case of Au Atom Aggregation on a MgO Surface
Authors:
by
Kohei Tada, Tomohiro Maruyama, Hiroaki Koga, Mitsutaka Okumura and Shingo Tanaka
Link:
https://www.mdpi.com/1420-3049/24/3/505
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