332 citations · 780 across the 18 of their papers we have counts for
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physics.chem-ph2021★ 23 cited
The Effect of Geometry, Spin and Orbital Optimization in Achieving Accurate, Fully-Correlated Results for Iron-Sulfur Cubanes
Carlos Mejuto-Zaera, Demeter Tzeli, David Williams-Young +6
Iron-sulfur clusters comprise an important functional motif of the catalytic centers of biological systems, capable of enabling important chemical transformations at ambient condit…
physics.chem-ph2017
A Stochastic Formulation of the Resolution of Identity: Application to Second Order Møller-Plesset Perturbation Theory
Tyler Y. Takeshita, Wibe A. de Jong, Daniel Neuhauser +2
A stochastic orbital approach to the resolution of identity (RI) approximation for 4-index 2-electron electron repulsion integrals (ERIs) is presented. The stochastic RI-ERIs are t…