A QM/MM implementation of the self-consistent charge density functional tight binding (SCC-DFTB) method

TitleA QM/MM implementation of the self-consistent charge density functional tight binding (SCC-DFTB) method
Publication TypeJournal Article
Year of Publication2001
AuthorsCui, Q, Elstner, M, Kaxiras, E, Frauenheim, T, Karplus, M
JournalJournal of Physical Chemistry B
Volume105
Pagination569-585
Date PublishedJan
ISBN Number1089-5647
Accession NumberWOS:000166490900029