Numerical simulations of noisy quantum circuits for computational chemistry

Abstract The opportunities afforded by near-term quantum computers to calculate the ground-state properties of small molecules depend on structure computational ansatz as well errors induced device noise. Here we investigate behavior these noisy circuits using numerical simulations estimate accuracy and fidelity prepared states relative ground truth obtained conventional means. We implement several different types derived from unitary coupled cluster theory for purposes estimating energy sodium hydride variational eigensolver algorithm. show how error in scale with levels gate-based noise, internuclear configuration, circuit depth, parameter optimization methods.