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Author

Z. W. Windom

2 papers indexed here

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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
Preprint Sep 2026

A note on the accuracy of spin-densities from Kohn-Sham Density Functional Theory

Quantifying the magnetic properties of open-shell molecules is a common task in chemistry and is increasingly performed in silico using Kohn-Sham density functional theory (KS-DFT). Previous work demonstrates that the predictive accuracy of a few functionals for one such property - hyperfine coupling constants (HFCCs)...

R. A. Mendes, Z. W. Windom, A. Perera et al. · 0 citations

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