Q-Chem: An engine for innovation

A.I. Krylov and P.M.W. Gill
WIREs Comput. Mol. Sci. 3, 317 – 326 (2013)

Q-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 lab workstations using density functional and wave-function based approaches. It features an integrated graphical interface and input generator, large selection of functionals and correlation methods including methods for electronically excited states and open-shell systems. In addition to serving computational chemistry community, Q-Chem also provides an excellent development platform.

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