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تسجيل مستخدم جديدAb Initio Derivation of Model Energy Density Functionals
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J. Dobaczewski
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I propose a simple and manageable method that allows for deriving coupling constants of model energy density functionals (EDFs) directly from ab initio calculations performed for finite fermion systems. A proof-of-principle application allows for linking properties of finite nuclei, determined by using the nuclear nonlocal Gogny functional, to the coupling constants of the quasilocal Skyrme functional. The method does not rely on properties of infinite fermion systems but on the ab initio calculations in finite systems. It also allows for quantifying merits of different model EDFs in describing the ab initio results.
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We present the first application of a new approach, proposed in [Journal of Physics G: Nuclear and Particle Physics, 43, 04LT01 (2016)] to derive coupling constants of the Skyrme energy density functional (EDF) from ab initio Hamiltonian. By perturbi
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We propose a new approach to determine the strength of the charge symmetry breaking (CSB) term in the framework of Skyrme density functional theory. It is shown that once textit{ab initio} calculations are available including accurate description of
isospin symmetry breaking terms in medium and heavy nuclei, the mass difference of mirror nuclei as well as the neutron-skin thickness of doubly closed shell nuclei can be used to constrain the strength of CSB interaction with an uncertainty less than $ 6 , % $, separately from other isospin breaking forces. This method opens a new vista of textit{ab initio} nuclear energy density functionals.
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ibutions in other DFT quantities. With the ability to compute the nonlocal nuclear density from ab initio wave functions, it is now possible to estimate effects of such spurious contributions. Purpose: We derive the kinetic density using ab initio nonlocal scalar one-body nuclear densities computed within the no-core shell model (NCSM) approach, utilizing two- and three-nucleon chiral interactions as the sole input. With the ability to compute translationally invariant nonlocal densities, it is possible to directly gauge the impact of the spurious center-of-mass (COM) contributions in DFT quantities such as the kinetic density. Methods: The nonlocal nuclear densities are derived from the NCSM one-body densities calculated in second quantization. We present a review of COM contaminated and translationally invariant nuclear densities. We then derive an analytic expression for the kinetic density using these nonlocal densities, producing an ab initio kinetic density. Results: The ground state nonlocal densities of textsuperscript{4,6,8}He, textsuperscript{12}C, and textsuperscript{16}O are used to compute the kinetic densities of the aforementioned nuclei. The impact of the COM removal technique in the densities is discussed. The results of this work can be extended to other fundamental quantities in DFT. Conclusions: The use of a general nonlocal density allows for the calculation of fundamental quantities taken as input in theories such as DFT. This allows benchmarking of procedures for COM removal in different many-body techniques.
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