29 citations · 31 across the 2 of their papers we have counts for
2 papers
quant-ph2025★ 2 cited
A toolbox of spin-adapted generalized Pauli constraints
Julia Liebert, Yannick Lemke, Murat Altunbulak +3
We establish a toolbox for studying and applying spin-adapted generalized Pauli constraints (GPCs) in few-electron quantum systems. By exploiting the spin symmetry of realistic …
physics.chem-ph2022★ 29 cited
From Free-Energy Profiles to Activation Free Energies
Johannes C. B. Dietschreit, Dennis J. Diestler, Andreas Hulm +2
Given a chemical reaction going from reactant (R) to the product (P) on a potential energy surface (PES) and a collective variable (CV) that discriminates between R and P, one can…