Accurate molecular polarizabilities with coupled cluster theory and machine learning

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Authors: David M. Wilkins, Andrea Grisafi, Yang Yang, Ka Un Lao, Robert A. DiStasio, Michele Ceriotti

Journal title: Proceedings of the National Academy of Sciences

Journal number: 116/9

Journal publisher: National Academy of Sciences

Published year: 2019

Published pages: 3401-3406

DOI identifier: 10.1073/pnas.1816132116

ISSN: 0027-8424