Correlation consistent composite approach ccCA

The Correlation Consistent Composite Approach (ccCA) Efficient and Pan-Periodic Kinetics and Thermodynamics... 

Abstract The correlation consistent Composite Approach (ccCA) methodology is the most accurate MP2-based model chemistry developed to date and contains no optimized empirically based parameters. As the method has continued to evolve and found new areas of application, we provide in this chapter a historical context of the developments and discoveries, an overview of variations of the ccCA model chemistry, and some discourse on future research thrusts. The success of ccCA for chemical applications is reviewed. 

This review will briefly compare and contrast current popular model chemistries in order to describe the motivation for the correlation consistent Composite Approach (ccCA). Initial calibration studies using the Gn training sets and initial comparisons to Gn methods will highlight chemical systems for which ccCA is a reliable and preferable model chemistry. Accomphshments and current development of ccCA will be discussed. 

The correlation-consistent composite approach (ccCA) is based in part on the G3B method, but uses Dunning correlation-consistent basis sets instead of Pople basis sets, does extrapolations to the CBS limit, replaces the QCISD(T) calculation with a CCSD(T) calculation, includes a relativistic correction, and contains no empirical parameters [N. J. DeYonker et al., J. Chem. Phys., 125, 104111 (2006) Mol. Phys., 107,... 

DeYonker, N. J., Cimdari, T. R., Wilson, A. K. (2006). The correlation consistent composite approach ccCA An alternative to the Gaussian-n methods. J Chem Phys 124,114104. 

Oyedepo, G. A. Mlson, A. K. Multireference correlation consistent composite approach [MR-ccCA] toward accurate prediction of the energetics of excited and transition state chemistry, J. Phys. Chem. A 2010,114, 8806-8816. 

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