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quant-ph2025
Solving one-body ensemble N-representability problems with spin
Julia Liebert, Federico Castillo, Jean-Philippe Labbé +2
The Pauli exclusion principle is fundamental to understanding electronic quantum systems. It namely constrains the expected occupancies of orbitals according to $0 \le…
quant-ph2025
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 …