161 citations · 386 across the 6 of their papers we have counts for
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physics.chem-ph2019
Multireference electron correlation methods: Journeys along potential energy surfaces
Jae Woo Park, Rachael Al-Saadon, Matthew K. MacLeod +2
Multireference electron correlation methods describe static and dynamical electron correlation in a balanced way, and therefore, can yield accurate and predictive results even when…
physics.chem-ph2019★ 37 cited
Analytical Gradient Theory for Strongly Contracted (SC-) and Partially Contracted (PC-) N-Electron Valence State Perturbation Theory (NEVPT2)
Jae Woo Park
An analytical gradient theory for single-state N-electron valence state perturbation theory (NEVPT2), using both strongly contracted (SC) and partially contracted (PC) internal con…
physics.chem-ph2019★ 4 cited
Imaginary shift in CASPT2 nuclear gradient and derivative coupling theory
Jae Woo Park, Rachael Al-Saadon, Nils E. Strand +1
We report the analytical nuclear gradient theory for complete active space second-order perturbation theory (CASPT2) with imaginary shift, which is commonly used to avoid divergenc…