A quantum computing view on unitary coupled cluster theory†
We present a review of the Unitary Coupled Cluster (UCC) ansatz and related ansätze which are used to variationally solve the electronic structure problem on quantum computers. A brief history of coupled cluster (CC) methods is provided, followed by a broad discussion of the formulation of CC theory. This includes touching on the merits and difficulties of the method and several variants, UCC among them, in the classical context, to motivate their applications on quantum computers. In the core of the text, the UCC ansatz and its implementation on a quantum computer are discussed at length, in addition to a discussion on several derived and related ansätze specific to quantum computing. The review concludes with a unified perspective on the discussed ansätze, attempting to bring them under a common framework, as well as with a reflection upon open problems within the field.
- This article is part of the themed collections: Quantum computing and quantum information storage: Celebrating the 2022 Nobel Prize in Physics and Quantum Information Science for Chemistry