62 citations · 246 across the 10 of their papers we have counts for
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physics.chem-ph2020★ 33 cited
Excited states in variational Monte Carlo using a penalty method
Shivesh Pathak, Brian Busemeyer, João N. B. Rodrigues +1
The authors present a technique using variational Monte Carlo to solve for excited states of electronic systems. The technique is based on enforcing orthogonality to lower energy s…
physics.chem-ph2016★ 27 cited
Accurate barrier heights using diffusion Monte Carlo
Kittithat Krongchon, Brian Busemeyer, Lucas K. Wagner
Fixed node diffusion Monte Carlo (DMC) has been performed on a test set of forward and reverse barrier heights for 19 non-hydrogen-transfer reactions, and the nodal error has been…