Cluster expansion of the wave function. Electron correlations in the ground state, valence and Rydberg excited states, ionized states, and electron attached states of formaldehyde by SAC and SAC–CI theories

Abstract

The SAC (symmetry-adapted-cluster) and SAC–CI theories are applied to the study of electron correlations in the ground state, valence and Rydberg excited states, ionized states, and electron attached states of formaldehyde. The results compare well with experiments, showing the utility of the SAC and SAC–CI theories. Some new assignments of the spectra are reported.