Boson sampling enhanced quantum chemistry

TL;DR

This paper introduces a hybrid quantum-classical algorithm using linear optical systems for solving molecular electronic structure problems, achieving chemical accuracy in numerical simulations.

Contribution

It proposes a novel Boson Sampling-Classic (BS-C) ansatz combining Boson dynamics with classical chemistry methods, enhancing quantum chemistry computations.

Findings

Achieved chemical accuracy in potential energy curves for several molecules.

Developed a scalable measurement procedure mitigating photon loss errors.

Demonstrated the feasibility of using linear optical systems for quantum chemistry simulations.

Abstract

In this work, we give a hybrid quantum-classical algorithm for solving electronic structure problems of molecules using only linear quantum optical systems. The variational ansatz we proposed is a hybrid of non-interacting Boson dynamics and classical computational chemistry methods, specifically, the Hartree-Fock method and the Configuration Interaction method. The Boson part is built by a linear optical interferometer which is easier to realize compared with the well-known Unitary Coupled Cluster (UCC) ansatz composed of quantum gates in conventional VQE and the classical part is merely classical processing acting on the Hamiltonian. We called such ansatzes Boson Sampling-Classic (BS-C). The appearance of permanents in the Boson part has its physical intuition to provide different kinds of resources from commonly used single-, double-, and higher-excitations in classical methods and the UCC ansatz to exploring chemical quantum states. Such resources can help enhance the accuracy of methods used in the classical parts. We give a scalable hybrid homodyne and photon number measurement procedure for evaluating the energy value which has intrinsic abilities to mitigate photon loss errors and discuss the extra measurement cost induced by the no Pauli exclusion principle for Bosons with its solutions. To demonstrate our proposal, we run numerical experiments on several molecules and obtain their potential energy curves reaching chemical accuracy.