Vibrational Frequencies of Cerium-Oxide-Bound CO: A Challenge for Conventional DFT Methods

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Authors: Pablo G. Lustemberg, Philipp N. Plessow, Yuemin Wang, Chengwu Yang, Alexei Nefedov, Felix Studt, Christof Wöll, M. Verónica Ganduglia-Pirovano

Journal title: Physical Review Letters

Journal number: 125/25

Journal publisher: American Physical Society

Published year: 2020

DOI identifier: 10.1103/physrevlett.125.256101

ISSN: 0031-9007