Search results for "Open shell"
showing 10 items of 48 documents
Closed-shell coupled-cluster theory with spin-orbit coupling
2008
A two-component closed-shell coupled-cluster (CC) approach using relativistic effective core potentials with spin-orbit coupling included in the post-Hartree-Fock treatment is proposed and implemented at the CC singles and doubles (CCSD) level as well as at the CCSD level augmented by a perturbative treatment of triple excitations [CCSD(T)]. The latter invokes as an additional approximation the neglect of the occupied-occupied and virtual-virtual blocks of the spin-orbit coupling matrix in order to avoid the iterative N(7) steps in the treatment of triple excitations. The computational effort of the implemented two-component CC methods is about 10-15 times that of its corresponding nonrelat…
Analytic energy gradients in closed-shell coupled-cluster theory with spin-orbit coupling
2008
Gradients in closed-shell coupled-cluster (CC) theory with spin-orbit coupling included in the post Hartree-Fock treatment have been implemented at the CC singles and doubles (CCSD) level and at the CCSD level augmented by a perturbative treatment of triple excitations [CCSD(T)]. The additional computational effort required in analytic energy-gradient calculations is roughly the same as that for ground-state energy calculations in the case of CCSD, and it is about twice in the case of CCSD(T) calculations. The structures, harmonic frequencies, and dipole moments of some heavy-element compounds have been calculated using the present analytic energy-gradient techniques including spin-orbit co…
Nuclear energy density optimization: Shell structure
2013
Nuclear density functional theory is the only microscopical theory that can be applied throughout the entire nuclear landscape. Its key ingredient is the energy density functional. In this work, we propose a new parameterization UNEDF2 of the Skyrme energy density functional. The functional optimization is carried out using the POUNDerS optimization algorithm within the framework of the Skyrme Hartree-Fock-Bogoliubov theory. Compared to the previous parameterization UNEDF1, restrictions on the tensor term of the energy density have been lifted, yielding a very general form of the energy density functional up to second order in derivatives of the one-body density matrix. In order to impose c…
Magicity of theN68iSemidouble-Closed-Shell Nucleus Probed by Gamow-Teller Decay of the Odd-ANeighbors
1999
The particle-hole excitations through the $N\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}40$ subshell around ${}^{68}\mathrm{Ni}$ have been studied by the $\ensuremath{\beta}$ decay of ${}^{69}\mathrm{Co}$ and ${}^{69}\mathrm{Ni}$. The half-life of ${}^{69}\mathrm{Co}$ was measured to be 0.22(2) s, and a new $\ensuremath{\beta}$-decaying isomer with a half-life of 3.5(5) s was identified in ${}^{69}\mathrm{Ni}$. From the decay of the ${}^{69}\mathrm{Ni}$ isomer a 9(4)% mixing of the $\ensuremath{\pi}{p}_{3/2}^{+1}\ensuremath{\nu}{p}_{1/2}^{\ensuremath{-}2}\ensuremath{\nu}{g}_{9/2}^{+2}$ configuration into the ground state of ${}^{69}\mathrm{Cu}$ can be deduced. Significant polarizatio…
Spin-restricted open-shell coupled-cluster theory
1997
Spin-restricted CC theory is suggested as a new approach for the treatment of high-spin open-shell systems in CC theory. Spin constraints are imposed on the wave function in the sense that the projected spin eigenvalue equations are fulfilled within the (truncated) excitation space. These constraints allow a reduction in the number of independent amplitudes, thus decreasing the computational cost when implemented efficiently. The approach ensures that the spin expectation value always corresponds to the exact value, though the wave function is (for truncated CC treatments) not rigorously spin-adapted. For the specific case of high-spin doublets, detailed equations are derived for amplitudes…
Communication: Spin densities within a unitary group based spin-adapted open-shell coupled-cluster theory: Analytic evaluation of isotropic hyperfine…
2015
We report analytical calculations of isotropic hyperfine-coupling constants in radicals using a spin-adapted open-shell coupled-cluster theory, namely, the unitary group based combinatoric open-shell coupled-cluster (COSCC) approach within the singles and doubles approximation. A scheme for the evaluation of the one-particle spin-density matrix required in these calculations is outlined within the spin-free formulation of the COSCC approach. In this scheme, the one-particle spin-density matrix for an open-shell state with spin S and MS = + S is expressed in terms of the one- and two-particle spin-free (charge) density matrices obtained from the Lagrangian formulation that is used for calcul…
Multinucleon transfer reactions in closed-shell nuclei
2007
Multinucleon transfer reactions in 40Ca+96Zr and 90Zr+208Pb have been measured at energies close to the Coulomb barrier in a high resolution gamma-particle coincidence experiment. The large solid angle magnetic spectrometer PRISMA coupled to the CLARA gamma-array has been employed. Trajectory reconstruction has been applied for the complete identification of transfer products. Mass and charge yields, total kinetic energy losses, gamma transitions of the binary reaction partners, and comparison of data with semiclassical calculations are reported. Specific transitions in 95Zr populated in one particle transfer channels are discussed in terms of particle-phonon couplings. The gamma decays fro…
β-Decay Studies Close to the N=82 r-process Path
2005
New half-lives for neutron-rich ruthenium, rhodium and palladium isotopes close to the r-process path along the N=82 closed shell have been measured at the National Superconducting Cyclotron Laboratory at Michigan State University. The studied isotopes are close to the critical A=118-126 mass region in the astrophysical r-process, where incorrect nuclear structure development towards the shell closure may have the most pronounced effect on the abundances of elements produced. Neutron-rich nuclei were produced by fragmentation of a 120-MeV per nucleon 136 Xe beam on Be and were separated by the A1900 fragment separator. The nuclei of interest were implanted into a double-sided Si strip detec…
Production of n-rich Nuclei along the Closed Shell N=126 in the collision 136Xe + 208Pb @E lab =870 MeV
2018
Multi-nucleon transfer reactions are nowadays the only known mean to produce neutron-rich nuclei in the Terra Incognita. The closed-shell region N=126 is crucial for both studying shell-quenching in exotic nuclei and the r-process, being its last "waiting-point". The choice of suitable reactions is challenging and a favorable case is 136Xe+208Pb, near the Coulomb barrier, because their neutron shell-closures play a stabilizing role, favoring the proton-transfer from lead to xenon. TOF-TOF data were analyzed to reconstruct the mass-energy distribution of the primary fragments. Preliminary results of an experiment held at Laboratori Nazionali di Legnaro with PRISMA, aimed at A and Z identific…
Collective 2$^{+1}$ excitations in$^{206}$Po and$^{208,210}$Rn
2016
In the present study, $B(E2; 2^{+}_{1}\rightarrow 0^{+}_{1})$ values have been measured in the 208,210Rn and 206Po nuclei through Coulomb excitation of re-accelerated radioactive beams in inverse kinematics at CERN-ISOLDE. These nuclei have been proposed to lie in, or at the boundary of the region where the seniority scheme should persist. However, contributions from collective excitations are likely to be present when moving away from the N=126 closed shell. Such an effect is confirmed by the observed increased collectivity of the $2^{+}_{1}\rightarrow 0^{+}_{1}$ transitions. Experimental results have been interpreted with the aid of theoretical studies carried out within the BCS-based QRP…