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The ONETEP linear-scaling density functional theory program.
Prentice, Joseph C A; Aarons, Jolyon; Womack, James C; Allen, Alice E A; Andrinopoulos, Lampros; Anton, Lucian; Bell, Robert A; Bhandari, Arihant; Bramley, Gabriel A; Charlton, Robert J; Clements, Rebecca J; Cole, Daniel J; Constantinescu, Gabriel; Corsetti, Fabiano; Dubois, Simon M-M; Duff, Kevin K B; Escartín, José María; Greco, Andrea; Hill, Quintin; Lee, Louis P; Linscott, Edward; O'Regan, David D; Phipps, Maximillian J S; Ratcliff, Laura E; Serrano, Álvaro Ruiz; Tait, Edward W; Teobaldi, Gilberto; Vitale, Valerio; Yeung, Nelson; Zuehlsdorff, Tim J; Dziedzic, Jacek; Haynes, Peter D; Hine, Nicholas D M; Mostofi, Arash A; Payne, Mike C; Skylaris, Chris-Kriton.
Afiliação
  • Prentice JCA; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
  • Aarons J; Department of Physics, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom.
  • Womack JC; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom.
  • Allen AEA; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom.
  • Andrinopoulos L; Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
  • Anton L; UKAEA, Culham Science Centre, Abingdon OX14 3DB, United Kingdom.
  • Bell RA; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom.
  • Bhandari A; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom.
  • Bramley GA; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom.
  • Charlton RJ; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
  • Clements RJ; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom.
  • Cole DJ; School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne NE1 7RU, United Kingdom.
  • Constantinescu G; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom.
  • Corsetti F; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
  • Dubois SM; Institute of Condensed Matter and Nanosciences, Université Catholique de Louvain, Louvain-la-Neuve, Belgium.
  • Duff KKB; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom.
  • Escartín JM; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom.
  • Greco A; Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
  • Hill Q; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom.
  • Lee LP; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom.
  • Linscott E; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom.
  • O'Regan DD; School of Physics, AMBER, and CRANN Institute, Trinity College Dublin, The University of Dublin, Dublin 2, Ireland.
  • Phipps MJS; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom.
  • Ratcliff LE; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
  • Serrano ÁR; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom.
  • Tait EW; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom.
  • Teobaldi G; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom.
  • Vitale V; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
  • Yeung N; Department of Physics, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom.
  • Zuehlsdorff TJ; Chemistry and Chemical Biology, University of California Merced, Merced, California 95343, USA.
  • Dziedzic J; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom.
  • Haynes PD; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
  • Hine NDM; Department of Physics, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom.
  • Mostofi AA; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
  • Payne MC; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom.
  • Skylaris CK; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom.
J Chem Phys ; 152(17): 174111, 2020 May 07.
Article em En | MEDLINE | ID: mdl-32384832
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Reino Unido
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Reino Unido