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ONETEP + TOSCAM: uniting dynamical mean field theory and linear-scaling density functional theory

Lookup NU author(s): Dr Daniel Cole


The full text of this item is currently under embargo and cannot be made publicly available until 20/05/2021.

Publication metadata

Author(s): Linscott EB, Cole DJ, Hine NDM, Payne MC, Weber C

Publication type: Article

Publication status: Published

Journal: Journal of Chemical Theory and Computation

Year: 2020

Issue: ePub ahead of Print

Online publication date: 20/05/2020

Acceptance date: 20/05/2020

Date deposited: 01/06/2020

ISSN (print): 1549-9618

ISSN (electronic): 1549-9626

Publisher: American Chemical Society


DOI: 10.1021/acs.jctc.0c00162


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