Search results for "funktio"
showing 10 items of 319 documents
Stability limits of elemental 2D metals in graphene pores
2019
Two-dimensional (2D) materials can be used as stabilizing templates for exotic nanostructures, including pore-stabilized, free-standing patches of elemental metal monolayers. Although these patches represent metal clusters under extreme conditions and are thus bound for investigations, they are poorly understood as their energetic stability trends and the most promising elements remain unknown. Here, using density-functional theory simulations and liquid drop model to explore the properties of 45 elemental metal candidates, we identify metals that enable the largest and most stable patches. Simulations show that pores can stabilize patches up to $\sim 8$ nm$^2$ areas and that the most promi…
Universal trend of charge radii of even-even Ca-Zn nuclei
2021
Radii of nuclear charge distributions carry information about the strong and electromagnetic forces acting inside the atomic nucleus. While the global behavior of nuclear charge radii is governed by the bulk properties of nuclear matter, their local trends are affected by quantum motion of proton and neutron nuclear constituents. The measured differential charge radii $\delta\langle r^2_c\rangle$ between neutron numbers $N=28$ and $N=40$ exhibit a universal pattern as a function of $n=N-28$ that is independent of the atomic number. Here we analyze this remarkable behavior in even-even nuclei from calcium to zinc using two state-of-the-art theories based on quantified nuclear interactions: t…
Mirror and triplet displacement energies within nuclear DFT: : numerical stability
2017
Isospin-symmetry-violating class II and III contact terms are introduced into the Skyrme energy density functional to account for charge dependence of the strong nuclear interaction. The two new coupling constants are adjusted to available experimental data on triplet and mirror displacement energies, respectively. We present preliminary results of the fit, focusing on its numerical stability with respect to the basis size.
Impact of the surface energy coefficient on the deformation properties of atomic nuclei as predicted by Skyrme energy density functionals
2018
Background: In the framework of nuclear energy density functional (EDF) methods, many nuclear phenomena are related to the deformation of intrinsic states. Their accurate modeling relies on the correct description of the change of nuclear binding energy with deformation. The two most important contributions to the deformation energy have their origin in shell effects that are correlated to the spectrum of single-particle states, and the deformability of nuclear matter, that can be characterized by a model-dependent surface energy coefficient asurf. Purpose: With the goal of improving the global performance of nuclear EDFs through the fine-tuning of their deformation properties, the purpose …
Beta-Decay Studies in N ≈ Z Nuclei Using No-Core Configuration-Interaction Model
2015
The no-core configuration-interaction model based on the isospin- and angular-momentum projected density functional formalism is introduced. Two applications of the model are presented: (i) determination of spectra of 0+ states in 62Zn and (ii) determination of isospin-symmetry-breaking corrections to superallowed β-decay between isobaric-analogue 0+ states in 38Ca and 38K. It is shown that, without readjusting a single parameter of the underlying Skyrme interaction, in all three nuclei, the model reproduces the 0+ spectra surprisingly well. peerReviewed
Model nuclear energy density functionals derived from ab initio calculations
2020
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 perturbing the ab initio Hamiltonian with several functional generators defining the Skyrme EDF, we create a set of metadata that is then used to constrain the coupling constants of the functional. We use statistical analysis to obtain such an ab initio-equivalent Skyrme EDF. We find that the resulting functional describes properties of atomic nuclei and infinite nuclear matter quite poorly. This may point out to the necessity of building up the ab init…
Isospin-symmetry breaking in masses of ≃ Nuclei
2018
Effects of the isospin-symmetry breaking (ISB) beyond mean-field Coulomb terms are systematically studied in nuclear masses near the N=Z line. The Coulomb exchange contributions are calculated exactly. We use extended Skyrme energy density functionals (EDFs) with proton–neutron-mixed densities, to which we add new terms breaking the isospin symmetry. Two parameters associated with the new terms are determined by fitting mirror and triplet displacement energies (MDEs and TDEs) of isospin multiplets. The new EDFs reproduce MDEs for the T=12 doublets and T=1 triplets, and TDEs for the T=1 triplets. Relative strengths of the obtained isospin-symmetry-breaking terms are not consistent with the d…
Solution of universal nonrelativistic nuclear DFT equations in the Cartesian deformed harmonic-oscillator basis. (IX) HFODD (v3.06h) : a new version …
2021
We describe the new version (v3.06h) of the code HFODD that solves the universal nonrelativistic nuclear DFT Hartree-Fock or Hartree-Fock-Bogolyubov problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we implemented the following new features: (i) zero-range three- and four-body central terms, (ii) zero-range three-body gradient terms, (iii) zero-range tensor terms, (iv) zero-range isospin-breaking terms, (v) finite-range higher-order regularized terms, (vi) finite-range separable terms, (vii) zero-range two-body pairing terms, (viii) multi-quasiparticle blocking, (ix) Pfaffian overlaps, (x) particle-number and parity symmetry restoration, (xi) axializatio…
Precision measurement of the magnetic octupole moment in 45Sc as a test for state-of-the-art atomic- and nuclear-structure theory
2020
We report on measurements of the hyperfine $A, B$ and $C$-constants of the $3d4s^2 ~^2D_{5/2}$ and $3d4s^2 ~^2D_{3/2}$ atomic states in $^{45}$Sc. High-precision atomic calculations of the hyperfine fields of these states and second-order corrections are performed, and are used to extract $C_{5/2}=-0.06(6)$ kHz and $C_{3/2}=+0.04(3)$ kHz from the data. These results are one order of magnitude more precise than the available literature. From the combined analysis of both atomic states, we infer the nuclear magnetic octupole moment $\Omega = -0.07(53) \mu_N b$, including experimental and atomic structure-related uncertainties. With a single valence proton outside of a magic calcium core, scan…
Ultrastrong Coupling of a Single Molecule to a Plasmonic Nanocavity: A First-Principles Study
2022
| openaire: EC/H2020/838996/EU//RealNanoPlasmon Funding Information: We acknowledge financial support from the Swedish Research Council (VR Miljö, Grant No: 2016-06059), the Knut and Alice Wallenberg Foundation (Grant No: 2019.0140), the Polish National Science Center (projects 2019/34/E/ST3/00359 and 2019/35/B/ST5/02477). T.P.R. acknowledges support from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grant Agreement No. 838996 and support from the Academy of Finland under the Grant No. 332429. T.J.A. acknowledges support from the Project HPC-EUROPA3 (INFRAIA-2016-1-730897), with the support of the EC Research Innovation Action under the H…