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Homotopy continuation methods for coupled-cluster theory in quantum chemistry

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arxiv 2306.13299 v1 pith:VQ5K452S submitted 2023-06-23 quant-ph math.AGphysics.chem-ph

classification quant-phmath.AGphysics.chem-ph
keywords coupled-clusterhomotopymethodsquantumtheoryalgebraicallyappliedapproaches
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Homotopy methods have proven to be a powerful tool for understanding the multitude of solutions provided by the coupled-cluster polynomial equations. This endeavor has been pioneered by quantum chemists that have undertaken both elaborate numerical as well as mathematical investigations. Recently, from the perspective of applied mathematics, new interest in these approaches has emerged using both topological degree theory and algebraically oriented tools. This article provides an overview of describing the latter development.

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  1. The SagbiHomotopy.jl package for solving polynomial systems

    math.AG 2025-06 conditional novelty 5.0 of 10

    SagbiHomotopy.jl implements SAGBI-basis homotopy continuation, reducing path counts for horizontally parameterized polynomial systems compared with polyhedral homotopies.

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