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

Authors :
Yalouz, Saad
Koridon, Emiel
Senjean, Bruno
Lasorne, Benjamin
Buda, Francesco
Visscher, Lucas
Source :
Journal of Chemical Theory & Computation; 2/8/2022, Vol. 18 Issue 2, p776-794, 19p
Publication Year :
2022

Details

Language :
English
ISSN :
15499618
Volume :
18
Issue :
2
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
155997887
Full Text :
https://doi.org/10.1021/acs.jctc.1c00995