The ONETEP linear-scaling density functional theory program

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Prentice, Joseph CA, Aarons, Jolyon, Womack, James C, Allen, Alice EA, Andrinopoulos, Lampros, Anton, Lucian, Bell, Robert A, Bhandari, Arihant, Bramley, Gabriel A, Charlton, Robert J et al (show 26 more authors) , Clements, Rebecca J, Cole, Daniel J, Constantinescu, Gabriel, Corsetti, Fabiano, Dubois, Simon M-M, Duff, Kevin KB, Escartn, Jose Mara, Greco, Andrea, Hill, Quintin, Lee, Louis P, Linscott, Edward, O'Regan, David D, Phipps, Maximillian JS, Ratcliff, Laura E, Serrano, Alvaro Ruiz, Tait, Edward W, Teobaldi, Gilberto ORCID: 0000-0001-6068-6786, Vitale, Valerio, Yeung, Nelson, Zuehlsdorff, Tim J, Dziedzic, Jacek, Haynes, Peter D, Hine, Nicholas DM, Mostofi, Arash A, Payne, Mike C and Skylaris, Chris-Kriton (2020) The ONETEP linear-scaling density functional theory program. JOURNAL OF CHEMICAL PHYSICS, 152 (17).

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Item Type:	Article
Depositing User:	Symplectic Admin
Date Deposited:	13 May 2020 09:41
Last Modified:	19 Jan 2021 02:13
DOI:	10.1063/5.0004445
Open Access URL:	https://aip.scitation.org/doi/full/10.1063/5.00044...
Related URLs:	Author
URI:	https://livrepository.liverpool.ac.uk/id/eprint/3087107