78 citations · 261 across the 14 of their papers we have counts for
14 papers
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…
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…
What Can Quantum Information Theory Offer to Quantum Chemistry?
Damiano Aliverti-Piuri, Kaustav Chatterjee, Lexin Ding +3
It is the ultimate goal of this work to foster synergy between quantum chemistry and the flourishing field of quantum information theory. For this, we first translate quantum infor…
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…
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 the…
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…
Physical Entanglement Between Localized Orbitals
Lexin Ding, Gesa Dünnweber, Christian Schilling
In [arXiv:2207.03377] the first closed formula of a faithful entanglement measure applicable to realistic electron systems has been derived. In the present work, we build on this k…
Fermionic Entanglement and Correlation
Lexin Ding
Entanglement plays a central role in numerous fields of quantum science. However, as one departs from the typical "Alice versus Bob" setting into the world of indistinguishable fer…
Quantifying Electron Entanglement Faithfully
Lexin Ding, Zoltan Zimboras, Christian Schilling
Entanglement is one of the most fascinating concepts of modern physics. In striking contrast to its abstract, mathematical foundation, its practical side is, however, remarkably un…
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…
Comment on "Self-Consistent-Field Method for Correlated Many-Electron Systems with an Entropic Cumulant Energy"
Lexin Ding, Julia Liebert, Christian Schilling
In [Phys. Rev. Lett. 128, 013001 (2022)] a novel ground state method was proposed. It has been suggested that this -DMFT would be a method within one-particle reduced density ma…
Concept of orbital entanglement and correlation in quantum chemistry
Lexin Ding, Sam Mardazad, Sreetama Das +4
A recent development in quantum chemistry has established the quantum mutual information between orbitals as a major descriptor of electronic structure. This has already facilitate…
Correlation paradox of the dissociation limit: A quantum information perspective
Lexin Ding, Christian Schilling
The interplay between electron interaction and geometry in a molecular system can lead to rather paradoxical situations. The prime example is the dissociation limit of the hydrogen…