Q-Chem: an engine for innovation
نویسندگان
چکیده
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 laboratory workstations using density functional and wave-function-based approaches. It features an integrated graphical interface and input generator, a large selection of functionals and correlation approaches including methods for electronically excited states and openshell systems. In addition to serving the computational chemistry community, Q-Chem also provides an excellent development platform. C © 2012 John Wiley & Sons, Ltd.
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