108 citations · 1.6k across the 73 of their papers we have counts for
4 papers · 2 filters
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…
Refining and relating fundamentals of functional theory
Julia Liebert, Adam Yanis Chaou, Christian Schilling
To advance the foundation of one-particle reduced density matrix functional theory (1RDMFT) we refine and relate some of its fundamental features and underlying concepts. We define…