Calibration of Energy Density Functionals with Deformed Nuclei

Abstract

Nuclear density functional theory is the prevalent theoretical framework for accurately describing nuclear properties at the scale of the entire chart of nuclides. Given an energy functional and a many-body scheme (e.g., single- or multireference level), the predictive power of the theory depends strongly on how the parameters of the energy functionals have been calibrated with experimental data. Expanded algorithms and computing power have enabled recent optimization protocols to include data in deformed nuclei in order to optimize the coupling constants of the energy functional. The primary motivation of this work is to test the robustness of such protocols with respect to some of the technical and numerical details of the underlying calculations, especially when the calibration explores a large parameter space. To this end, we quantify the effect of these uncertainties on both the optimization and statistical emulation of composite objective functions. We also emphasize that Bayesian calibration can provide better estimates of the theoretical errors used to define objective functions.

23 pages, 3 figures, 4 tables, 67 references; Submitted to J. Phys. G: Nucl. Part. Phys

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• Principal components of nuclear mass models
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• Building Surrogate Models of Nuclear Density Functional Theory with Gaussian Processesand Autoencoders
• Optimized nuclear energy density functionals including long-range pion contributions
• A Fast and Calibrated Computer Model Emulator: An Empirical Bayes Approach
• Multipole responses in fissioning nuclei and their uncertainties