机译:DFTB plus , a software package for efficient approximate density functional theory based atomistic simulations
Karlsruhe Inst Technol, Inst Phys Chem, Karlsruhe, Germany;
Ulsan Natl Inst Sci & Technol, Dept Chem, Ulsan, South Korea;
Univ Regensburg, Inst Theoret Phys, Regensburg, GermanyUniv Warwick, Dept Chem, Gibbet Hill Rd, Coventry CV4 7AL, W Midlands, EnglandIBS, Ctr Multidimens Carbon Mat, Ulsan 44919, South KoreaAlamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USAUniv Claude Bernard Lyon 1, CNRS, Inst Lumiere Matiere, Univ Lyon, F-69622 Villeurbanne, FranceUniv Newcastle, Sch Environm & Life Sci, Callaghan, NSW, AustraliaCNR ISMN, Monterotondo Stn, Via Salaria Km 29 300, I-00015 Rome, ItalyDassault Syst, Cambridge, EnglandInst Organ Chem & Biochem AS CR, Prague, Czech RepublicUniv Nacl Cuyo, Fac Ciencias Exactas Nat, Inst Interdisciplinario Ciencias Basicas, CONICET, Mendoza, ArgentinaArgonne Natl Lab, Lemont, IL 60439 USAUniv Luxembourg, Dept Phys & Mat Sci, L-1511 Luxembourg, LuxembourgUniv Bremen, Bremen Ctr Computat Mat Sci, Bremen, GermanyDuke Univ, Dept Mech Engn & Mat Sci, Durham, NC 27708 USAUniv Strathclyde, Dept Phys, SUPA, Glasgow G4 0NG, Lanark, ScotlandMax Planck Inst Struct & Dynam Matter, Hamburg, GermanyUniv Bristol, Sch Chem, Cantocks Close, Bristol BS8 1TS, Avon, EnglandUniv Costa Rica, Sch Chem, San Jose 115012060, Costa RicaWestern Washington Univ, Dept Chem, Bellingham, WA 98225 USAUniv Minnesota, Dept Mech Engn, Minneapolis, MN 55455 USACSRC, Beijing, Peoples R ChinaUniv Bonn, Bonn, GermanyFree Univ Berlin, Berlin, GermanyOak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA;