A Remarkable Application of Zassenhaus Formula to Strongly Correlated Electron Systems

Louis Jourdan and Patrick Cassam-Chenaï

Université Côte d'Azur, CNRS, LJAD, UMR 7351, 28 avenue Valrose, 06108 Nice, France

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Abstract

We show that the Zassenhaus decomposition for the exponential of the sum of two non-commuting operators, simplifies drastically when these operators satisfy a simple condition, called the no-mixed adjoint property. An important application to a Unitary Coupled Cluster method for strongly correlated electron systems is presented. This ansatz requires no Trotterization and is exact on a quantum computer with a finite number of Givens gate equals to the number of free parameters. The formulas obtained in this work also shed light on why and when optimization after Trotterization gives exact solutions in disentangled forms of unitary coupled cluster.

We show that the Trotter-Suzuki approximation can be completely avoided thanks to the Zassenhaus formula in the 2D-Block pair Unitary Coupled Cluster” (2D-BpUCC) ansatz for Quantum Chemistry, so that the latter can be exactly prepared on a quantum computer.

The underlying mathematical property of this result has broad potential applications across a diverse spectrum of quantum algorithms, extending well beyond quantum chemistry.

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