13 citations · 32 across the 8 of their papers we have counts for
3 papers · 1 filter
Resolving molecular biexcited states using classical leading-order triples corrections to quantum equation-of-motion UCCSD
Zachary W. Windom, Prince Kwao, Luke Bertels +3
Excited electronic states are difficult to accurately and tractably model, particularly those exhibiting multiexcitonic character. Scalable single-reference excited state methods t…
A note on the accuracy of spin-densities from Kohn-Sham Density Functional Theory
Rodrigo A. Mendes, Zachary W. Windom, Ajith Perera +2
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)…
On the performance of QTP functionals applied to second-order response properties II: Dynamic polarizability and long-range C coefficients
Rodrigo A. Mendes, Peter R. Franke, Ajith Perera +1
This work is the second in the series "On the performance of QTP functionals applied to second-order response properties." In the first paper (J. Chem. Phys. 162, 054105, 2025), we…