Q-Chem: an engine for innovation
Date
2013
Authors
Krylov, Anna
Gill, Peter
Journal Title
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Volume Title
Publisher
John Wiley & Sons Inc
Abstract
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
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Keywords
Keywords: Density functionals; Development platform; Electronically excited state; Fast calculations; Graphical interface; Innovative algorithms; Large system; Open-shell systems; Technology; Electronic structure
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Source
Wiley Interdisciplinary Reviews - Computational Molecular Science
Type
Journal article
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Restricted until
2037-12-31
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