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We formulate and implement the Variational Quantum Eigensolver SelfConsistent Field (VQE-SCF) algorithm in combination with polarizable embedding(PE), thereby extending PE to the regime of quantum computing. We test theresulting algorithm, PE-VQE-SCF, on quantum simulators and demonstrate that thecomputational stress on the quantum device is only slightly increased in termsof gate counts compared to regular VQE-SCF. On the other hand, no increase inshot noise was observed. We illustrate how PE-VQE-SCF may lead to the modelingof real chemical systems using a simulation of the reaction barrier of theDiels-Alder reaction between furan and ethene as an example.

The variational quantum eigensolver self-consistent field method within a polarizable embedded framework