Related papers: Calibration of Energy Density Functionals with Def…
Functional data are ubiquitous in scientific modeling. For instance, quantities of interest are modeled as functions of time, space, energy, density, etc. Uncertainty quantification methods for computer models with functional response have…
The difficulty in describing the equation of state (EoS) for nuclear matter at densities above the saturation density ($\rho_0$) has led to the emergence of a multitude of models based on different assumptions and techniques. These EoSs,…
Systematic investigation of the accuracy of the description of the energies of deformed one-quasiparticle states has been performed in covariant density functional theory in actinide and rare-earth mass regions. The sources of the…
Although uncertainty quantification has been making its way into nuclear theory, these methods have yet to be explored in the context of reaction theory. For example, it is well known that different parameterizations of the optical…
An accurate description of nuclear matter starting from free-space nuclear forces has been an elusive goal. The complexity of the system makes approximations inevitable, so the challenge is to find a consistent truncation scheme with…
Density functional theory is the workhorse of chemistry and materials science, and novel density functional approximations (DFAs) are published every year. To become available in program packages, the novel DFAs need to be (re)implemented.…
This paper represents one contribution to a larger Roadmap article reviewing the current status of the FHI-aims code. In this contribution, the implementation of density-functional perturbation theory in a numerical atom-centered framework…
Given a vector space of microscopic quantum observables, density functional theory is formulated on its dual space. A generalized Hohenberg-Kohn theorem and the existence of the universal energy functional in the dual space are proven. In…
The energy spectrum of nucleons in high-density nuclear matter is investigated in the framework of relativistic meson-nucleon many-body theory, employing the $1/N$ expansion method. The coupling of the nucleon with the particle-hole…
Standard methods in computer model calibration treat the calibration parameters as constant throughout the domain of control inputs. In many applications, systematic variation may cause the best values for the calibration parameters to…
It is shown that the equation of state of nuclear matter can be determined within the mean-field theory of $\sigma \omega$ model provided only that the nucleon effective mass curve is given. We use a family of the possible nucleon effective…
A brief overview is given of the properties of spectral functions in finite nuclei as obtained from (e,e'p) experiments. Based on recent experimental data from this reaction it is argued that the empirical value of the saturation density of…
A non-relativisitic nuclear density functional theory is constructed, not as usual, from an effective density dependent nucleon-nucleon force but directly introducing in the functional results from microscopic nuclear and neutron matter…
A covariant energy density functional is calibrated using a principled Bayesian statistical framework informed by experimental binding energies and charge radii of several magic and semi-magic nuclei. The Bayesian sampling required for the…
The status of experiments on determination of level density and partial widths of the nuclear reaction products emission in diapason of nucleon binding energy is presented. There are analyzed the sources and magnitude of probable…
Approximate functionals used in practical density functional theory (DFT) deviate from the piecewise linear behavior of the exact functional for fractional charges. This deviation causes excess charge delocalization, which leads to…
A long-standing goal of nuclear theory is to explain how the structure and dynamics of atomic nuclei and neutron-star matter emerge from the underlying interactions among protons and neutrons. Achieving this goal requires solving the…
Covariant density functional theory (CDFT) is a modern theoretical tool for the description of nuclear structure phenomena. The current investigation aims at the global assessment of the accuracy of the description of the ground state…
The algebraic reformulation of molecular Quantum Electrodynamics (mQED) at finite temperatures is applied to Nuclear Magnetic Resonance (NMR) in order to provide a foundation for the reconstruction of much more detailed molecular…
New energy-density functionals (EDFs) inspired by effective-field theories (EFTs) have been recently proposed. The present work focuses on three of such functionals which were developed to produce satisfactory equations of state for nuclear…