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Combining embedded mean-field theory with linear-scaling density-functional theory by Prentice, JCA, Charlton, RJ, Mostofi, AA, Haynes, PD
Published 2019Journal article -
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The ONETEP linear-scaling density functional theory program by Prentice, JCA, Aarons, J, Womack, JC, Allen, AEA, Andrinopoulos, L, Anton, L, Bell, RA, Bhandari, A, Bramley, GA, Charlton, RJ, Clements, RJ, Cole, DJ, Constantinescu, G, Corsetti, F, Dubois, SM-M, Duff, KKB, Escartín, JM, Greco, A, Hill, Q, Lee, LP, Linscott, E, O'Regan, DD, Phipps, MJS, Ratcliff, LE, Serrano, ÁR, Tait, EW, Teobaldi, G, Vitale, V, Yeung, N, Zuehlsdorff, TJ, Dziedzic, J, Haynes, PD, Hine, NDM, Mostofi, AA, Payne, MC, Skylaris, C-K
Published 2020Journal article