[ASAP] A Dynamically Weighted Constrained Complete Active Space Ansatz for Constructing Multiple Potential Energy Surfaces within the Anderson-Holstein Model

Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.3c00327

Source: Journal of Chemical Theory and Computation - July 3, 2023 Category: Chemistry Authors: Junhan Chen and Joseph E. Subotnik Source Type: research