Shell corrections of superheavy nuclei in self-consistent calculations

Kruppa, A. T.; Bender, M.; Nazarewicz, W.; Reinhard, P.‐G.; Vertse, T.; Ćwiok, S.

doi:10.1103/physrevc.61.034313

Cited by 230 publications

(149 citation statements)

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“…The shell corrections were extracted from the HF results according to Green's function method and the generalized Strutinsky smoothing procedure of Refs. [81][82][83]. Table I displays the values of the symmetry, surface-symmetry and surface coefficients for various realizations of the nuclear EDF.…”

Section: B Spherical Liquid Drop Based On Densitymentioning

confidence: 99%

“…It is worth noting that HFB potential energy landscapes change considerably within this isotopic sequence. For example, N =184 is a neutron magic number for SkM* [81]; hence, g.s. configurations around 276 U are spherical rather than prolate, see Fig.…”

Section: Surface-symmetry Energy and Deformed Neutron-rich Nuclei mentioning

confidence: 99%

“…Following Ref. [81], we employed the following smoothing parameters: smoothing widths γ n = 1.66 for neutrons and γ p = 1.54 for protons (in units of ω 0 = 41/A 1/3 ) and the curvature correction p = 10. This choice guarantees that the generalized plateau condition is satisfied [82].…”

Section: A Pairing and Shell Correctionsmentioning

confidence: 99%

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Surface symmetry energy of nuclear energy density functionals

et al. 2011

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We study the bulk deformation properties of the Skyrme nuclear energy density functionals. Following simple arguments based on the leptodermous expansion and liquid drop model, we apply the nuclear density functional theory to assess the role of the surface symmetry energy in nuclei. To this end, we validate the commonly used functional parametrizations against the data on excitation energies of superdeformed band-heads in Hg and Pb isotopes, and fission isomers in actinide nuclei. After subtracting shell effects, the results of our self-consistent calculations are consistent with macroscopic arguments and indicate that experimental data on strongly deformed configurations in neutron-rich nuclei are essential for optimizing future nuclear energy density functionals. The resulting survey provides a useful benchmark for further theoretical improvements. Unlike in nuclei close to the stability valley, whose macroscopic deformability hangs on the balance of surface and Coulomb terms, the deformability of neutron-rich nuclei strongly depends on the surface-symmetry energy; hence, its proper determination is crucial for the stability of deformed phases of the neutronrich matter and description of fission rates for r-process nucleosynthesis.

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Section: B Spherical Liquid Drop Based On Densitymentioning

confidence: 99%

Section: Surface-symmetry Energy and Deformed Neutron-rich Nuclei mentioning

confidence: 99%

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Surface symmetry energy of nuclear energy density functionals

et al. 2011

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“…The shell energy is computed using the same prescription as outlined in Refs. [40,41]. This procedure is based on the Green's function approach to the level density and the generalized plateau condition of Ref.…”

Section: Modelmentioning

confidence: 99%

From finite nuclei to the nuclear liquid drop: Leptodermous expansion based on self-consistent mean-field theory

et al. 2006

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The parameters of the nuclear liquid drop model, such as the volume, surface, symmetry, and curvature constants, as well as bulk radii, are extracted from the nonrelativistic and relativistic energy density functionals used in microscopic calculations for finite nuclei. The microscopic liquid drop energy, obtained self-consistently for a large sample of finite, spherical nuclei, has been expanded in terms of powers of A −1/3 (or inverse nuclear radius) and the isospin excess (or neutron-to-proton asymmetry). In order to perform a reliable extrapolation in the inverse radius, the calculations have been carried out for nuclei with huge numbers of nucleons, of the order of 10 6 . The Coulomb interaction has been ignored to be able to approach nuclei of arbitrary sizes and to avoid radial instabilities characteristic of systems with very large atomic numbers. The main contribution to the fluctuating part of the binding energy has been removed using the Green's function method to calculate the shell correction. The limitations of applying the leptodermous expansion to actual nuclei are discussed. While the leading terms in the macroscopic energy expansion can be extracted very precisely, the higher-order, isospin-dependent terms are prone to large uncertainties due to finite-size effects.

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“…[2][3][4] Some predictions estimate half-lives for isotopes with special combination of proton and neutron numbers as long as 10 8 years, as for 290 Sg 184 . 5,6 Recently, the production of the super heavy elements 112 through 118 using "hot" fusion reactions attained special chemical interest since the reported half-lives are in order of seconds, orders of magnitude longer than those of isotopes produced by "cold" fusion reactions.…”

Section: Introductionmentioning

confidence: 99%

Ab Initio correlated all electron Dirac-Fock calculations for eka-francium fluoride (E119F)

Miranda

Mendes

Gomes

et al. 2012

J. Braz. Chem. Soc.

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Resultados obtidos por cálculos Dirac-Fock correlacionados de 4 componentes para o fluoreto do elemento E119 (Eka-Frâncio) com base estável e precisa, livre de prolapso variacional, são reportados neste trabalho. No nível CCSD(T), a distância de equilíbrio R e , frequência harmônica w e e energia de dissociação D e são 2,432 Å, 354,97 cm -1 e 116,92 kcal mol -1 , respectivamente. Também são reportados base livre de prolapso variacional de 4 componentes para o elemento 119, uma curva analítica de energia potencial precisa e o espectro vibracional a partir dos dados obtidos no nível CCSD(T). Nossos resultados sugerem que a molécula E119F deva ser menos iônica que seus fluoretos alcalinos homólogos mais leves, em contraste com o senso químico comum baseado nas propriedades periódicas -era de se esperar nesta molécula a ligação química mais iônica possível. Também encontramos que a correção do tipo modelo de carga para negligenciar as integrais do tipo SS resulta em erros insignificantes e acelera os cálculos cerca de 3 vezes no nível CCSD(T) e cerca de 4 vezes no nível DFT/B3LYP.Results obtained with correlated 4-component Dirac-Fock calculations for element E119 (ekafrancium) fluoride with stable and accurate basis set (prolapse-free) are reported in this work. At CCSD(T) level, the equilibrium distance R e , harmonic frequency w e and dissociation energy D e are 2.432 Å, 354.97 cm -1 and 116.92 kcal mol -1 , respectively. A 4-component prolapse free basis set for E119, an accurate analytical potential energy curve and vibrational spectra from CCSD(T) data are also reported. Our results suggest that E119F should be less ionic than lighter alkaline fluoride homologues, in contrast to the common chemical belief based on periodic trends -it would be expected in this molecule the most ionic bond possible. We also found that the charge model correction to neglect SS integrals leads to negligible errors and speed up calculations close to three times at CCSD(T) level and close to 4 times at DFT/B3LYP level. Keywords: super heavy elements (SHE), 4-component relativistic molecular calculations, 4-component gaussian basis sets, relativistic effects in chemistry IntroductionThe quest for super heavy nuclei began in 1940's with the synthesis of new elements with an atomic number greater than uranium, and the search for new elements was boosted with the prediction of an "island of stability" 1 for super heavy elements (SHE) with atomic numbers 114,120 and 126. [2][3][4] Some predictions estimate half-lives for isotopes with special combination of proton and neutron numbers as long as 10 8 years, as for 290 Sg 184 . 5,6 Recently, the production of the super heavy elements 112 through 118 using "hot" fusion reactions attained special chemical interest since the reported half-lives are in order of seconds, orders of magnitude longer than those of isotopes produced by "cold" fusion reactions. In addition to short half-lives, the drawback of low production rates also makes chemical experiments expensive, difficult and hard to perfo...

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Shell corrections of superheavy nuclei in self-consistent calculations

Cited by 230 publications

References 89 publications

Surface symmetry energy of nuclear energy density functionals

Surface symmetry energy of nuclear energy density functionals

From finite nuclei to the nuclear liquid drop: Leptodermous expansion based on self-consistent mean-field theory

Ab Initio correlated all electron Dirac-Fock calculations for eka-francium fluoride (E119F)

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