20 citations · 24 across the 2 of their papers we have counts for
3 papers
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…
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…
Visualizing Complex-Valued Molecular Orbitals
Rachael Al-Saadon, Toru Shiozaki, Gerald Knizia
We report an implementation of a program for visualizing complex-valued molecular orbitals. The orbital phase information is encoded on each of the vertices of triangle meshes usin…