American Chemical Society
ct3c00376_si_001.pdf (939.46 kB)

Linear-Scaling Quantum Circuits for Computational Chemistry

Download (939.46 kB)
journal contribution
posted on 2023-07-06, 18:38 authored by Ilias Magoulas, Francesco A. Evangelista
We have recently constructed compact, CNOT-efficient, quantum circuits for Fermionic and qubit excitations of arbitrary many-body rank [Magoulas, I.; Evangelista, F. A. J. Chem. Theory Comput. 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.