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Jaguar is an extremely fast ab initio electronic structure software package that provides chemical accuracy for realistic systems in reasonable time. Jaguar is much more accurate than semiempirical methods and is much faster than other ab initio methods.

The combination of pseudospectral methods to calculate two- electron integrals and correlation techniques that are local allows the HF, DFT, MP2, GVB, and GVB-RCI methods in Jaguar to scale better than N3 (where N is the basis set size). Therefore, Jaguar can treat fairly large systems, such as oligomers, catalysts, metal clusters, large dye molecules, or molecular clusters, with accuracy that allows predictive capability.

Current Version:   3.0

License Type:   Commercial

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Source Code Availability:   No

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Targeted Platforms:

SGI/IRIX, Cray/UNICOS, DEC/Alpha, HP/HP-UX, IBM/AIX, PC/Linux 2.0.27 or later

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