A quantum computing view on unitary coupled cluster theory. (15th February 2022)

• Record Type: Journal Article
• Authors: Anand, Abhinav; Schleich, Philipp; Alperin-Lea, Sumner; Jensen, Phillip W. K.; Sim, Sukin; Díaz-Tinoco, Manuel; Kottmann, Jakob S.; Degroote, Matthias; Izmaylov, Artur F.; Aspuru-Guzik, Alán
• Is Part Of: Chemical Society reviews. Volume 51:Number 5(2022)
• Page Start: 1659
• Page End: 1684
• Publication Date: 2022-02-15
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1039/d1cs00932j
• Languages: English
• ISSNs: 0306-0012

Abstract

Abstract : This review presents a comprehensive overview of the Unitary Coupled Cluster (UCC) ansatz and related ansätze which are used to solve the electronic structure problem on quantum computers. Abstract : 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.