Flexibility of the factorized form of the unitary coupled cluster ansatz

Abstract

The factorized form of the unitary coupled cluster ansatz is a popular state preparation ansatz for electronic structure calculations of molecules on quantum computers. It often is viewed as an approximation (based on the Trotter product formula) for the conventional unitary coupled cluster operator. In this work, we show that the factorized form is quite flexible, allowing one to range from conventional configuration interaction, to conventional unitary coupled cluster, to efficient approximations that lie in between these two. The variational minimization of the energy often allows simpler factorized unitary coupled cluster approximations to achieve high accuracy, even if they do not accurately approximate the Trotter product formula. This is similar to how quantum approximate optimization algorithms can achieve high accuracy with a small number of levels.

(6 pages, 3 figures)

References in corpus (4)

• A Quantum Approximate Optimization Algorithm
• Exact Parameterization of Fermionic Wave Functions via Unitary Coupled Cluster Theory
• Prospects of Quantum Computing for Molecular Sciences
• Resolving Correlated States of Benzyne on a Quantum Computer with an Error-Mitigated Quantum Contracted Eigenvalue Solver

Cited by in corpus (3)

• Dual Exponential Coupled Cluster Theory: Unitary Adaptation, Implementation in the Variational Quantum Eigensolver Framework and Pilot Applications
• Precision ground-state energy calculation for the water molecule on a superconducting quantum processor
• Excitations of Quantum Many-Body Systems via Purified Ensembles: A Unitary-Coupled-Cluster-based Approach