Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization

TitleImproving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization
Publication TypeJournal Article
Year of Publication2015
AuthorsChristensen, AS, Elstner, M, Cui, Q
JournalJournal of Chemical Physics
Volume143
Date PublishedAug
ISBN Number0021-9606
DOI10.1063/1.4929335