Excited state preparation on a quantum computer through adiabatic light-matter coupling

TL;DR

This paper introduces an adiabatic light-matter coupling method for preparing low-lying excited states on quantum computers, addressing a key challenge in quantum simulations of electronic structures.

Contribution

It presents a novel physically motivated technique for excited state preparation using explicit electron-photon coupling, applicable to various symmetry sectors.

Findings

Successfully prepared high-fidelity excited states for Hubbard model and methylene molecule.

Demonstrated hardware implementation for a model Hamiltonian.

Converged systematically to the first optically accessible excited state.

Abstract

Quantum computing has the potential to transform simulations of quantum many-body problems at the heart of electronic structure theory. Efficient quantum algorithms to compute the eigenstates of fermionic Hamiltonians, such as quantum phase estimation, rely critically on high-accuracy initial state preparation. While several state preparation algorithms have been proposed for fermionic ground states, the preparation of excited states remains a major challenge, limiting the applicability of quantum algorithms to photochemistry and photophysics. In this contribution, we describe a physically motivated adiabatic state preparation technique for low-lying excited states using the explicit coupling between electrons and photons. Our approach systematically converges to the first optically accessible excited state and can target different symmetry sectors by changing the photon polarization. We demonstrate the preparation of high-fidelity excited states for the Hubbard model and methylene molecule across a range of correlation regimes, and perform a successful hardware implementation for a model Hamiltonian.