Linear-Scaling Quantum Circuits for Computational Chemistry.

J Chem Theory Comput

Department of Chemistry and Cherry Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, United States.

Published: August 2023

We have recently constructed compact, CNOT-efficient, quantum circuits for Fermionic and qubit excitations of arbitrary many-body rank [Magoulas, I.; Evangelista, F. A. 2023, 19, 822]. Here, we present approximations of these circuits that substantially reduce the CNOT counts even further. Our preliminary numerical data, using the selected projective quantum eigensolver approach, show up to a 4-fold reduction in CNOTs. At the same time, there is practically no loss of accuracy in the energies compared to the parent implementation, while the ensuing symmetry breaking is essentially negligible.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10413858PMC
http://dx.doi.org/10.1021/acs.jctc.3c00376DOI Listing

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