English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Currently available noisy intermediate-scale quantum (NISQ) devices arelimited by the number of qubits that can be used for quantum chemistrycalculations on molecules. We show herein that the number of qubits requiredfor simulations on a quantum computer can be reduced by limiting the number oforbitals in the active space. Thus, we have utilized ans\"atze that approximateexact classical matrix eigenvalue decomposition methods (Full ConfigurationInteraction). Such methods are appropriate for computations with theVariational Quantum Eigensolver algorithm to perform computationalinvestigations on the rearrangement of the lithium superoxide dimer with bothquantum simulators and quantum devices. These results demonstrate that, evenwith a limited orbital active space, quantum simulators are capable ofobtaining energy values that are similar to the exact ones. However,calculations on quantum hardware underestimate energies even after theapplication of readout error mitigation.

Computational Investigations of the Lithium Superoxide Dimer Rearrangement on Noisy Quantum Devices