22 citations · 62 across the 13 of their papers we have counts for
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physics.chem-ph2022★ 10 cited
Transition-Potential Coupled Cluster II: Optimization of the Core Orbital Occupation Number
Megan Simons, Devin A. Matthews
The issue of orbital relaxation in computational core-hole spectroscopy, specifically x-ray absorption, has been a major problem for methods such as equation-of-motion coupled clus…
physics.chem-ph2022★ 17 cited
Accurate core-excited states via inclusion of core triple excitations in similarity-transformed EOM theory
Megan Simons, Devin A. Matthews
The phenomenon of orbital relaxation upon excitation of core electrons is a major problem in the linear-response treatment of core-hole spectroscopies. Rather than addressing relax…