[ASAP] Orthogonally Constrained Orbital Optimization: Assessing Changes of Optimal Orbitals for Orthogonal Multireference States

Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.2c01144

Source: Journal of Chemical Theory and Computation - February 15, 2023 Category: Chemistry Authors: Saad Yalouz and Vincent Robert Source Type: research