Applications & Systems > > Software > ACES II
DESCRIPTION
ACES II, developed by Prof. Bartlett's group at University of Florida, is a series of programs for performing ab initio calculations. The package has a high degree of flexibility, and supports many kinds of calculations at a number of levels of theory. The major strengths of the program are in performing calculations using "many-body" methods to treat electron correlation. These approaches, broadly categorized as many-body perturbation theory (MBPT) and the coupled-cluster (CC) approximation, offer a reliable treatment of correlation and have the attractive property of size-extensivity, meaning that energies scale properly with the size of the system. As a result of this property, MBPT and CC methods are ideally suited for the study of chemical reactions.
USAGE
Users are required to write their own submit scripts.
This application has the ability to write restart files. For more information on this capability, Please see the ACES II User Guide.
LICENSE INFORMATION
For information on supported platforms, versions and licenses, please check the
Consolidated Software Page:
http://www.afrl.hpc.mil/consolidated/softwareAFRL_ALL.php.
VENDOR LINKS
- Aces II Homepage
- Aces II User Guide (PostScript) (PDF)
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