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Homotopy continuation methods for coupled-cluster theory in quantum chemistry

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abstract

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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math.AG 1

years

2025 1

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CONDITIONAL 1

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  • The SagbiHomotopy.jl package for solving polynomial systems math.AG · 2025-06-06 · conditional · none · ref 2003 · internal anchor

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