Understanding X-ray absorption in liquid water using triple excitations in multilevel coupled cluster theory

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Authors: Sarai Dery Folkestad, Alexander C. Paul, Regina Paul, Sonia Coriani, Michael Odelius, Marcella Iannuzzi, Henrik Koch

Journal title: Nature Communications

Journal number: 15

Journal publisher: Nature Publishing Group

Published year: 2024

DOI identifier: 10.1038/s41467-024-47690-x

ISSN: 2041-1723