Abstract
A method of determining the multiple solutions of nonlinear multireference coupled cluster (MRCC) equations using the recently introduced eigenvalue independent partitioning (EIP) technique has been applied in this work to find out the Auger diagram and shake-up satellite states of NH3, PH3, and HCl at ab initio level. The diagram states are fully size extensive, and the satellites are nearly size extensive with respect to the electrons in a molecule. Strong correlation effects were observed in the states involving inner valence orbital. In most cases, good agreement between the EIP/MRCC results and the experimental and previous theoretical works was found. In particular, controversies about the correct positions of some Auger states have been thoroughly discussed.
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