5 papers · 1 filter
Operational bounds and diagnostics for coherence in energy transfer
Julia Liebert, Gregory D. Scholes
Excitation energy transfer in light-harvesting aggregates is highly efficient, yet whether quantum coherence plays an operational role in transport remains debated. A central chall…
Operational impact of quantum resources in chemical dynamics
Julia Liebert, Gregory D. Scholes
Quantum coherence and other non-classical features are widely discussed in chemical dynamics, yet it remains difficult to quantify when such resources are operationally relevant fo…
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…
Refining ensemble -representability of one-body density matrices from partial information
Julia Liebert, Anna O. Schouten, Irma Avdic +2
The -representability problem places fundamental constraints on reduced density matrices (RDMs) that originate from physical many-fermion quantum states. Motivated by recent dev…
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 …