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Article Dans Une Revue Journal of Chemical Theory and Computation Année : 2022

Analytical Nonadiabatic Couplings and Gradients within the State-Averaged Orbital-Optimized Variational Quantum Eigensolver

Saad Yalouz
Emiel Koridon
  • Fonction : Auteur
Benjamin Lasorne
Francesco Buda
Lucas Visscher

Dates et versions

hal-03796328 , version 1 (04-10-2022)

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Saad Yalouz, Emiel Koridon, Bruno Senjean, Benjamin Lasorne, Francesco Buda, et al.. Analytical Nonadiabatic Couplings and Gradients within the State-Averaged Orbital-Optimized Variational Quantum Eigensolver. Journal of Chemical Theory and Computation, 2022, 18 (2), pp.776-794. ⟨10.1021/acs.jctc.1c00995⟩. ⟨hal-03796328⟩
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