27 citations · 27 across the 3 of their papers we have counts for
6 papers · 1 filter
Chemical bonding concepts emerge naturally from maximally entangled atomic orbitals
Lexin Ding, Eduard Matito, Christian Schilling
Chemical bonding is a nonlocal phenomenon that binds atoms into molecules. Its ubiquitous presence in chemistry, however, stands in stark contrast to its ambiguous definition and t…
Quantum correlations in molecules: from quantum resourcing to chemical bonding
Lexin Ding, Stefan Knecht, Zoltán Zimborás +1
The second quantum revolution is all about exploiting the quantum nature of atoms and molecules to execute quantum information processing tasks. To support this growing endeavor an…
Ground and Excited States from Ensemble Variational Principles
Lexin Ding, Cheng-Lin Hong, Christian Schilling
The extension of the Rayleigh-Ritz variational principle to ensemble states with fixed weights lies ultimately at…
Quantum Information-Assisted Complete Active Space Optimization (QICAS)
Lexin Ding, Stefan Knecht, Christian Schilling
Automated active space selection is arguably one of the most challenging and essential aspects of multiconfigurational methods. In this work we propose an effective quantum informa…
Refining the weighted subspace-search variational quantum eigensolver: compression of ansätze into a single pure state and optimization of weights
Cheng-Lin Hong, Luis Colmenarez, Lexin Ding +2
The weighted subspace-search variational quantum eigensolver (SSVQE) is a prominent algorithm for calculating excited-state properties of molecular quantum systems. In this work, w…
Unveiling Intrinsic Many-Body Complexity by Compressing Single-Body Triviality
Ke Liao, Lexin Ding, Christian Schilling
The simultaneous treatment of static and dynamical correlations in strongly-correlated electron systems is a critical challenge. In particular, finding a universal scheme for ident…