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1 Ergebnisse
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Analytical Nonadiabatic Couplings and Gradients within the ..:
Yalouz, Saad
;
Koridon, Emiel
;
Senjean, Bruno
...
Journal of Chemical Theory and Computation. 18 (2022) 2 - p. 776-794 , 2022
Link:
https://doi.org/10.1021/acs.jctc.1c00995
RT Journal T1 <Title>Analytical Nonadiabatic Couplings and Gradients within the State-Averaged Orbital-Optimized Variational Quantum Eigensolver</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.1c00995&Exemplar=1&LAN=DE A1 Yalouz, Saad A1 Koridon, Emiel A1 Senjean, Bruno A1 Lasorne, Benjamin A1 Buda, Francesco A1 Visscher, Lucas PB American Chemical Society (ACS) YR 2022 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 18 IS 2 SP 776 OP 794 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.1c00995 DO https://doi.org/10.1021/acs.jctc.1c00995 SF ELIB - SuUB Bremen
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