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Journal of Computational Physics
Article . 2024 . Peer-reviewed
License: Elsevier TDM
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Article . 2024
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https://dx.doi.org/10.48550/ar...
Article . 2021
License: arXiv Non-Exclusive Distribution
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Scalable semidefinite programming approach to variational embedding for quantum many-body problems

Authors: Yuehaw Khoo; Michael Lindsey;

Scalable semidefinite programming approach to variational embedding for quantum many-body problems

Abstract

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.

Related Organizations
Keywords

augmented Lagrangian, quantum embedding, Mathematical sciences, FOS: Physical sciences, Atomic, Computational methods for problems pertaining to quantum theory, Mathematical Sciences, Engineering, Numerical mathematical programming methods, Many-body theory; quantum Hall effect, FOS: Mathematics, Semidefinite programming, quantum many-body problem, Mathematics - Optimization and Control, Quantum Physics, Augmented Lagrangian, Applied Mathematics, Molecular and Optical Physics, semidefinite programming, Computational Physics (physics.comp-ph), Physical sciences, Quantum many-body problem, Optimization and Control (math.OC), Physical Sciences, Quantum embedding, Quantum Physics (quant-ph), Physics - Computational Physics

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
Average
Average
Average
Green