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Efficient emulators for scattering using eigenvector continuation

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arxiv 2007.03635 v4 pith:SLJNMQM6 submitted 2020-07-07 nucl-th cond-mat.mtrl-scihep-lathep-phnucl-ex

classification nucl-thcond-mat.mtrl-scihep-lathep-phnucl-ex
keywords scatteringbasisvariationalaccuratecontinuationeigenvectoremulatorsparameters
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Eigenvector continuation EC has been shown to accurately and efficiently reproduce ground states for targeted sets of Hamiltonian parameters. It uses as variational basis vectors the corresponding ground-state eigensolutions from selected other sets of parameters. Here we extend the EC approach to scattering using the Kohn variational principle. We first test it using a model for S-wave nucleon-nucleon scattering and then demonstrate that it also works to give accurate predictions for non-local potentials, charged-particle scattering, complex optical potentials, and higher partial waves. These proofs-of-principle validate EC as an accurate emulator for applying Bayesian inference to parameter estimation constrained by scattering observables. The efficiency of such emulators is because the accuracy is achieved with a small number of variational basis elements and the central computations are just linear algebra calculations in the space spanned by this basis.

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