Krylov, AnnaGill, Peter2015-12-101759-0876http://hdl.handle.net/1885/63114Q-Chem is a general-purpose electronic structure package featuring a variety of established and new methods implemented using innovative algorithms that enable fast calculations of large systems on regular laboratory workstations using density functionalKeywords: Density functionals; Development platform; Electronically excited state; Fast calculations; Graphical interface; Innovative algorithms; Large system; Open-shell systems; Technology; Electronic structure201310.1002/wcms.11222016-02-24