Matches in SemOpenAlex for { <https://semopenalex.org/work/W4317660909> ?p ?o ?g. }
- W4317660909 abstract "Abstract The ground and excited state calculations at key geometries, such as the Frank–Condon (FC) and the conical intersection (CI) geometries, are essential for understanding photophysical properties. To compute these geometries on noisy intermediate-scale quantum devices, we proposed a strategy that combined a chemistry-inspired spin-restricted ansatz and a new excited state calculation method called the variational quantum eigensolver under automatically-adjusted constraints (VQE/AC). Unlike the conventional excited state calculation method, called the variational quantum deflation, the VQE/AC does not require the pre-determination of constraint weights and has the potential to describe smooth potential energy surfaces. To validate this strategy, we performed the excited state calculations at the FC and CI geometries of ethylene and phenol blue at the complete active space self-consistent field (CASSCF) level of theory, and found that the energy errors were at most 2 kcal mol −1 even on the ibm_kawasaki device." @default.
- W4317660909 created "2023-01-21" @default.
- W4317660909 creator A5004626824 @default.
- W4317660909 creator A5011883688 @default.
- W4317660909 creator A5013924819 @default.
- W4317660909 creator A5050607387 @default.
- W4317660909 creator A5053410744 @default.
- W4317660909 creator A5075670442 @default.
- W4317660909 creator A5085041423 @default.
- W4317660909 date "2023-01-21" @default.
- W4317660909 modified "2023-10-14" @default.
- W4317660909 title "Excited state calculations using variational quantum eigensolver with spin-restricted ansätze and automatically-adjusted constraints" @default.
- W4317660909 cites W1663839511 @default.
- W4317660909 cites W1966702987 @default.
- W4317660909 cites W1983624953 @default.
- W4317660909 cites W1998217267 @default.
- W4317660909 cites W2006787354 @default.
- W4317660909 cites W2028054907 @default.
- W4317660909 cites W2035220448 @default.
- W4317660909 cites W2037365376 @default.
- W4317660909 cites W2038922877 @default.
- W4317660909 cites W2040654649 @default.
- W4317660909 cites W2040792108 @default.
- W4317660909 cites W2044386713 @default.
- W4317660909 cites W2052891002 @default.
- W4317660909 cites W2054204247 @default.
- W4317660909 cites W2069537676 @default.
- W4317660909 cites W2094642658 @default.
- W4317660909 cites W2117980155 @default.
- W4317660909 cites W2161685427 @default.
- W4317660909 cites W2325131227 @default.
- W4317660909 cites W2329118757 @default.
- W4317660909 cites W2349487082 @default.
- W4317660909 cites W2419313976 @default.
- W4317660909 cites W2494686247 @default.
- W4317660909 cites W2560356194 @default.
- W4317660909 cites W2639728117 @default.
- W4317660909 cites W2755255888 @default.
- W4317660909 cites W2756519801 @default.
- W4317660909 cites W2781738013 @default.
- W4317660909 cites W2794444783 @default.
- W4317660909 cites W2803208764 @default.
- W4317660909 cites W2884154229 @default.
- W4317660909 cites W2884927300 @default.
- W4317660909 cites W2889126882 @default.
- W4317660909 cites W2898972408 @default.
- W4317660909 cites W2923370183 @default.
- W4317660909 cites W2954163655 @default.
- W4317660909 cites W2981524394 @default.
- W4317660909 cites W2989336327 @default.
- W4317660909 cites W2999682805 @default.
- W4317660909 cites W3005979858 @default.
- W4317660909 cites W3012879893 @default.
- W4317660909 cites W3014277971 @default.
- W4317660909 cites W3017284665 @default.
- W4317660909 cites W3037443854 @default.
- W4317660909 cites W3094595762 @default.
- W4317660909 cites W3096987870 @default.
- W4317660909 cites W3097997666 @default.
- W4317660909 cites W3098571064 @default.
- W4317660909 cites W3099200606 @default.
- W4317660909 cites W3100594946 @default.
- W4317660909 cites W3103145119 @default.
- W4317660909 cites W3104249496 @default.
- W4317660909 cites W3112313708 @default.
- W4317660909 cites W3128972108 @default.
- W4317660909 cites W3134496971 @default.
- W4317660909 cites W3141273106 @default.
- W4317660909 cites W3162641224 @default.
- W4317660909 cites W3162772786 @default.
- W4317660909 cites W3176092674 @default.
- W4317660909 cites W3183535026 @default.
- W4317660909 cites W3189250281 @default.
- W4317660909 cites W3197765524 @default.
- W4317660909 cites W3198045228 @default.
- W4317660909 cites W3198799154 @default.
- W4317660909 cites W3199243972 @default.
- W4317660909 cites W3209612530 @default.
- W4317660909 cites W4205385362 @default.
- W4317660909 cites W4210499685 @default.
- W4317660909 cites W4213212652 @default.
- W4317660909 cites W4220921319 @default.
- W4317660909 cites W4284976704 @default.
- W4317660909 cites W4286971731 @default.
- W4317660909 cites W1992837291 @default.
- W4317660909 doi "https://doi.org/10.1038/s41524-023-00965-1" @default.
- W4317660909 hasPublicationYear "2023" @default.
- W4317660909 type Work @default.
- W4317660909 citedByCount "2" @default.
- W4317660909 countsByYear W43176609092023 @default.
- W4317660909 crossrefType "journal-article" @default.
- W4317660909 hasAuthorship W4317660909A5004626824 @default.
- W4317660909 hasAuthorship W4317660909A5011883688 @default.
- W4317660909 hasAuthorship W4317660909A5013924819 @default.
- W4317660909 hasAuthorship W4317660909A5050607387 @default.
- W4317660909 hasAuthorship W4317660909A5053410744 @default.
- W4317660909 hasAuthorship W4317660909A5075670442 @default.
- W4317660909 hasAuthorship W4317660909A5085041423 @default.
- W4317660909 hasBestOaLocation W43176609091 @default.
- W4317660909 hasConcept C121332964 @default.