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New scaling relations to compute atom-in-material polarizabilities and dispersion coefficients: part 1. Theory and accuracy

Lookup NU author(s): Dr Daniel ColeORCiD



This work is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0).

Publication metadata

Author(s): Manz TA, Chen T, Cole DJ, Gabaldon Limas N, Fiszbein B

Publication type: Article

Publication status: Published

Journal: RSC Advances

Year: 2019

Volume: 9

Pages: 19297-19324

Online publication date: 19/06/2019

Acceptance date: 03/06/2019

Date deposited: 22/06/2019

ISSN (electronic): 2046-2069

Publisher: Royal Society of Chemistry


DOI: 10.1039/C9RA03003D


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Funder referenceFunder name
National Science Foundation (NSF) CAREER Award DMR-1555376.
Supercomputing resources were provided by the Extreme Science and Engineering Discovery Environment (XSEDE).