42 citations · 154 across the 17 of their papers we have counts for
4 papers · 1 filter
Unified Framework for Functional Theories of Quantum Systems
Chih-Chun Wang, Julia Liebert, Markus Penz +1
We introduce and study a unified framework for density-functional theory and its variants for quantum systems on finite-dimensional Hilbert spaces. These theories seek to reduce th…
Capturing electron correlation at mean-field cost: Assessment of i-DMFT and the underlying correlation conjecture
Paul G. Graf, Florian Matz, Lexin Ding +3
Accurately treating strong electron correlation in quantum chemistry typically requires multireference wave-function methods with steep computational scaling. The recently proposed…
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…