Flexibility of the factorized form of the unitary coupled cluster Ansatz

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 is often 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 a 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.

Automated summary

The factorized form of unitary coupled cluster Ansatz provides flexibility to choose different approximation methods, ranging from conventional configuration interaction to conventional unitary coupled cluster, as well as efficient approximations in between. Through variational minimization of the energy, simplified factorized unitary coupled cluster approximations can achieve high accuracy, even if they do not accurately approximate the Trotter product formula.