Preprint
Oct 2026
Resolving molecular biexcited states using classical leading-order triples corrections to quantum equation-of-motion UCCSD
Excited electronic states are difficult to accurately and tractably model, particularly those exhibiting multiexcitonic character. Scalable single-reference excited state methods typically fail to describe such states as they suffer from the defects of the mean-field approximation and/or neglect higher-rank excitation...
Z. W. Windom, P. F. Kwao, Luke W. Bertels et al.
· 0 citations