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physics.chem-ph2024
Restricted Open-shell cluster Mean-Field theory for Strongly Correlated Systems
Arnab Bachhar, Nicholas J. Mayhall
The cluster-based Mean Field method (cMF) and it's second order perturbative correction[1], was introduced by Jiménez-Hoyos and Scuseria to reduce the cost of modeling strongly cor…
physics.chem-ph2024
Accurate and Interpretable Representation of Correlated Electronic Structure via Tensor Product Selected CI
Nicole M. Braunscheidel, Arnab Bachhar, Nicholas J. Mayhall
The task of computing wavefunctions that are accurate, yet simple enough mathematical objects to use for reasoning has long been a challenge in quantum chemistry. The difficulty in…