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Khoo, Yuehaw; Lindsey, Michael
Journal of computational physics, 08/2024, Letnik: 510Journal Article
In quantum embedding theories, a quantum many-body system is divided into localized clusters of sites which are treated with an accurate ‘high-level’ theory and glued together self-consistently by a less accurate ‘low-level’ theory at the global scale. The recently introduced variational embedding approach for quantum many-body problems combines the insights of semidefinite relaxation and quantum embedding theory to provide a lower bound on the ground-state energy that improves as the cluster size is increased. The variational embedding method is formulated as a semidefinite program (SDP), which can suffer from poor computational scaling when treated with black-box solvers. We exploit the interpretation of this SDP as an embedding method to develop an algorithm which alternates parallelizable local updates of the high-level quantities with updates that enforce the low-level global constraints. Moreover, we show how translation invariance in lattice systems can be exploited to reduce the complexity of projecting a key matrix to the positive semidefinite cone. •Scalable algorithm for variational quantum embedding, a semidefinite relaxation of the ground-state eigenvalue problem.•Alternates the solution of parallelizable local effective subproblems with global dual update steps.•Achieves convergence in number of iterations independent of cluster and system sizes.•Exploits translation invariance to efficiently project global matrix to the semidefinite cone.
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