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Aces 2This software is not currently part of the Software Archive, but was recommended by an user. | |
| Description of Software | Aces II 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. It is commercially available for unix workstations. |
| Project URL | http://www.qtp.ufl.edu/Aces2 |
