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Role of spin in the calculation of Hubbard U and Hund's J parameters from first principles

Lookup NU author(s): Dr Daniel ColeORCiD



This is the authors' accepted manuscript of an article that has been published in its final definitive form by American Physical Society, 2018.

For re-use rights please refer to the publisher's terms and conditions.

Publication metadata

Author(s): Linscott EB, Cole DJ, Payne MC, O'Regan DD

Publication type: Article

Publication status: Published

Journal: Physical Review B

Year: 2018

Volume: 98

Issue: 23

Pages: 235157

Print publication date: 15/12/2018

Online publication date: 26/12/2018

Acceptance date: 30/11/2018

Date deposited: 03/01/2019

ISSN (print): 2469-9950

ISSN (electronic): 2469-9969

Publisher: American Physical Society


DOI: 10.1103/PhysRevB.98.235157


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