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quant-ph2024
Vibrational ADAPT-VQE: Critical points leads to problematic convergence
Marco Majland, Patrick Ettenhuber, Nikolaj Thomas Zinner +1
Quantum chemistry is one of the most promising applications for which quantum computing is expected to have significant impact. Despite considerable research in the field of electr…
physics.chem-ph2024
A bivariational, stable and convergent hierarchy for time-dependent coupled cluster with adaptive basis sets
Mads Greisen Højlund, Ove Christiansen
We propose a new formulation of time-dependent coupled cluster with adaptive basis functions and division of the one-particle space into active and secondary subspaces. The formali…