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Toward emulating nuclear reactions using eigenvector continuation

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 Added by Christian Drischler
 Publication date 2021
  fields
and research's language is English




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We construct an efficient emulator for two-body scattering observables using the general (complex) Kohn variational principle and trial wave functions derived from eigenvector continuation. The emulator simultaneously evaluates an array of Kohn variational principles associated with different boundary conditions, which allows for the detection and removal of spurious singularities known as Kohn anomalies. When applied to the $K$-matrix only, our emulator resembles the one constructed by Furnstahl et al. [Phys. Lett. B 809, 135719] although with reduced numerical noise. After a few applications to real potentials, we emulate differential cross sections for $^{40}$Ca$(n,n)$ scattering based on a realistic optical potential and quantify the model uncertainties using Bayesian methods. These calculations serve as a proof of principle for future studies aimed at improving optical models.



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A common challenge faced in quantum physics is finding the extremal eigenvalues and eigenvectors of a Hamiltonian matrix in a vector space so large that linear algebra operations on general vectors are not possible. There are numerous efficient methods developed for this task, but they generally fail when some control parameter in the Hamiltonian matrix exceeds some threshold value. In this work we present a new technique called eigenvector continuation that can extend the reach of these methods. The key insight is that while an eigenvector resides in a linear space with enormous dimensions, the eigenvector trajectory generated by smooth changes of the Hamiltonian matrix is well approximated by a very low-dimensional manifold. We prove this statement using analytic function theory and propose an algorithm to solve for the extremal eigenvectors. We benchmark the method using several examples from quantum many-body theory.
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