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arxiv 2304.12870 v1 pith:AYARTPCX submitted 2023-04-25 physics.chem-ph quant-ph

Linear-Scaling Quantum Circuits for Computational Chemistry

classification physics.chem-ph quant-ph
keywords circuitsquantumaccuracyapproachapproximationsarbitrarybreakingchem
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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We have recently constructed compact, CNOT-efficient, quantum circuits for fermionic and qubit excitations of arbitrary many-body rank [I. Magoulas and F.A. Evangelista, J. Chem. Theory Comput. 19, 822 (2023)]. Here, we present approximations to these circuits that substantially reduce the CNOT counts even further. Our preliminary numerical data, using the selected projective quantum eigensolver approach, demonstrate that 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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