Abstract

Resonant 2 Photon Ionization (R2PI) spectroscopy and its ability to achieve thermochemical energies with unprecedented accuracy and extraordinarily small uncertainties has enabled the emergence of a new level of ab initio composite methodologies. The super correlation consistent Composite Approach (s-ccCA) includes coupled cluster terms with up to pentuple excitations has been used to achieve excellent agreement with R2PI for 3d and 4d transition metal thermochemistry. For system size increases, a continued fraction approximant has been examined to address the CCSDTQP contribution.

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