88 citations · 587 across the 37 of their papers we have counts for
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Theoretical Investigation of The X-Ray Stark Effect in Small Molecules
Avdhoot Datar, Catherine Wright, Devin A. Matthews
We have studied the Stark effect in the soft x-ray region for various small molecules by calculating the field-dependent x-ray absorption spectra. This effect is explained in terms…
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…
A Mountaineering Strategy to Excited States: Revising Reference Values with EOM-CC4
Pierre-Fran\{c}ois Loos, Filippo Lipparini, Devin A. Matthews +2
In the framework of the computational determination of highly-accurate vertical excitation energies in small organic compounds, we explore the possibilities offered by the equation…
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…