Theoretical investigation of several CHNO isomers

Astronomy and Astrophysics – Astrophysics

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Scientific paper

We report high level ab initio results for the four main CHNO isomers in their electronic ground state. The present calculations with the CCSD(T) method and large valence and core-valence correlation consistent polarized basis sets form the first step towards the deeper theoretical understanding of the structure and high resolution spectroscopy of the CHNO manifold. Important core-valence correlation effects are observed in all isomers.

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