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• W4212977508 abstract "The simulation of strongly correlated many-electron systems is one of the most promising applications for near-term quantum devices. Here we use a class of eigenvalue solvers (presented in Phys. Rev. Lett. 126, 070504 (2021)) in which a contraction of the Schrodinger equation is solved for the two-electron reduced density matrix (2-RDM) to resolve the energy splittings of ortho-, meta-, and para-isomers of benzyne ${textrm C_6} {textrm H_4}$. In contrast to the traditional variational quantum eigensolver, the contracted quantum eigensolver solves an integration (or contraction) of the many-electron Schrodinger equation onto the two-electron space. The quantum solution of the anti-Hermitian part of the contracted Schrodinger equation (qACSE) provides a scalable approach with variational parameters that has its foundations in 2-RDM theory. Experimentally, a variety of error mitigation strategies enable the calculation, including a linear shift in the 2-RDM targeting the iterative nature of the algorithm as well as a projection of the 2-RDM onto the convex set of approximately $N$-representable 2-RDMs defined by the 2-positive (DQG) $N$-representability conditions. The relative energies exhibit single-digit millihartree errors, capturing a large part of the electron correlation energy, and the computed natural orbital occupations reflect the significant differences in the electron correlation of the isomers." @default.
• W4212977508 created "2022-02-24" @default.
• W4212977508 creator A5045231077 @default.
• W4212977508 creator A5045248121 @default.
• W4212977508 creator A5052995521 @default.
• W4212977508 date "2022-02-07" @default.
• W4212977508 modified "2023-10-14" @default.
• W4212977508 title "Resolving correlated states of benzyne with an error-mitigated contracted quantum eigensolver" @default.
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