The ONETEP linear-scaling density functional theory program.

Autor: 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.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2020 May 07; Vol. 152 (17), pp. 174111.

Implicit and explicit host effects on excitons in pentacene derivatives.

Autor: Charlton RJ; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom., Fogarty RM; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom., Bogatko S; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom., Zuehlsdorff TJ; School of Natural Sciences, University of California Merced, 5200 N. Lake Road, Merced, California 95343, USA., Hine NDM; Department of Physics, University of Warwick, Coventry CV4 7AL, United Kingdom., Heeney M; Department of Chemistry, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom., Horsfield AP; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom., Haynes PD; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2018 Mar 14; Vol. 148 (10), pp. 104108.