25 citations · 44 across the 4 of their papers we have counts for
4 papers
Spin Coupling Effect on Geometry-Dependent X-ray Absorption of Diradicals
Scott M. Garner, Eric A. Haugen, Stephen R. Leone +1
We theoretically investigate the influence of diradical electron spin coupling on the time-resolved X-ray absorption spectra of the photochemical ring opening of furanone. We predi…
Improving Variational Monte Carlo Optimization by Avoiding Statistically Difficult Parameters
Scott M. Garner, Eric Neuscamman
Modern quantum Monte Carlo (QMC) methods often capture electron correlation through both explicitly correlating Jastrow factors and small to mid-sized configuration interaction (CI…
A variational Monte Carlo approach for core excitations
Scott M. Garner, Eric Neuscamman
We present a systematically-improvable approach to core excitations in variational Monte Carlo. Building on recent work in excited-state-specific Monte Carlo, we show how a straigh…
Core Excitations with Excited State Mean Field and Perturbation Theory
Scott M. Garner, Eric Neuscamman
We test the efficacy of excited state mean field theory and its excited-state-specific perturbation theory on the prediction of K-edge positions and X-ray peak separations. We find…