High Accuracy Energy Models

In the last two chapters, we discussed the ways that computational accuracy varies theoretical method and basis set. We ve examined both the successes and failures o variety of model chemistries. In this chapter, we turn our attention to mod designed for modeling the energies of molecular processes very accurately. 

Such models have been developed to achieve a target accuracy of 2 kcal-mol  

Instead, models like G2, CBS-4 and CBS-Q are compound methods consisting ol number of pre-defined component calculations whose results are combined in specified manner. We ll consider the specific makeup of the most importa compound methods after reviewing the computation of basic thermochemisti results and considering the accuracies of various traditional model chemistries. 

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Chapter 7, High Accuracy Energy Models, describes several research procedures for predicting very accurate thermodynamic and energetic properties of systems, including Gl, G2, G2(MP2) and several Complete Basis Set (CBS) models. 

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