Ab initio composite methods such as the correlation consistent Composite Approach (ccCA) and the Gaussian-n (Gn) methods have been utilized for the reliable prediction of energetic properties of the ground-states for thousands of main group molecules. However, for situations such as bond-breaking, excited states, and diradicals, different approaches that can better account for nondynamic electron correlation are needed. In this work, the utility of a multireference wavefunction-based composite approach, the multireference correlation consistent Composite Approach (MR-ccCA), is examined for a variety of species. A number of spectroscopic and energetic properties have been considered in this work.

Investigation of small molecules with the multireference correlation consistent composite approach (MR-ccCA)

251st National Meeting (2016)

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