Improving the accuracy of the variational quantum eigensolver for molecular systems by the explicitly-correlated perturbative [2]_R12<b>-</b>correction

Abstract

has turned out to be very promising - persistently throughout our data, this allowed very accurate simulations at a quantum cost of a minimal basis set. Additionally, we found that the deployment of PNOs as complementary basis can greatly reduce the number of complementary basis functions that enter the computation of the correction at a complexity.