Search results for " shell"
showing 10 items of 307 documents
Low-lying states in Ra219 and Rn215 : Sampling microsecond α -decaying nuclei
2018
Short-lived α-decaying nuclei "northeast" of 208Pb in the chart of nuclides were studied using the reaction 48Ca+243Am with the decay station TASISpec at TASCA, GSI Darmstadt. Decay energies and times from pile-up events were extracted with a tailor-made pulse-shape analysis routine and specific α-decay chains were identified in a correlation analysis. Decay chains starting with the even-even 220Ra and its odd-A neighbors, 219Fr, and 219,221Ra, with a focus on the 219Ra→215Rn decay, were studied by means of α-γ spectroscopy. A revised α-decay scheme of 219Ra is proposed, including a new decay branch from a previously not considered isomeric state at 17 keV excitation energy. Conclusions on …
The iron K-shell features of MXB 1728-34 from a simultaneous Chandra-RXTE observation
2005
We report on a simultaneous Chandra and RossiXTE observation of the low-mass X-ray binary atoll bursting source MXB 1728-34 performed on 2002 March 3-5. We fit the 1.2-35 keV continuum spectrum with a blackbody plus a Comptonized component. Large residuals at 6-10 keV can be fitted by a broad (FWHM ~ 2 keV) Gaussian emission line or, alternatively, by two absorption edges associated with lowly ionized iron and Fe XXV/XXVI at ~7.1 keV and ~9 keV, respectively. In this interpretation, we find no evidence of broad, or narrow, emission lines between 6 and 7 keV. We test our alternative modelling of the iron K shell region by reanalysing a previous BeppoSAX observation of MXB 1728-34, finding a …
Two-Phonon Octupole Excitation in 146Gd
2006
The excited states in 146Gd have been re‐investigated with the 144Sm(α,2n) reaction using a modern Ge γ‐ray array including a polarimeter. Amongst the non‐yrast states populated in this reaction we have identified the aligned 6+ member of the two‐phonon octupole quartet from the observation of the E3 branching to the one phonon 3− state. Our results represent the first observation of a 6+→3−→0+ E3 cascade in an even‐even nucleus.
Self-dressing and radiation reaction in classical electrodynamics
2002
A canonical approach to self-dressing in classical electrodynamics is presented. A slowly moving, rigid charge distribution is assumed to be completely deprived of the transverse electric E⊥ at an initial time t1' and the development of this component of the field is studied for t > t1' by solving the coupled charge-field Hamilton equations of motion. The theory is specialized to charge distributions of spherical symmetry, and in particular the point-charge, the spherical shell of charge and the spherical volume of charge are considered. As for the dynamics of the charge, the radiation-reaction force during self-dressing is obtained and it is shown to be substantially different at short tim…
Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. I. Triples expansions
2016
The accuracy at which total energies of open-shell atoms and organic radicals may be calculated is assessed for selected coupled cluster perturbative triples expansions, all of which augment the coupled cluster singles and doubles (CCSD) energy by a non-iterative correction for the effect of triple excitations. Namely, the second- through sixth-order models of the recently proposed CCSD(T-n) triples series [J. Chem. Phys. 140, 064108 (2014)] are compared to the acclaimed CCSD(T) model for both unrestricted as well as restricted open-shell Hartree-Fock (UHF/ROHF) reference determinants. By comparing UHF- and ROHF-based statistical results for a test set of 18 modest-sized open-shell species …
Sodium atoms and clusters on graphite by density functional theory
2004
Sodium atoms and clusters $(Nl~5)$ on graphite (0001) are studied using density functional theory, pseudopotentials and periodic boundary conditions. A single Na atom is observed to bind at a hollow site 2.45 \AA{} above the surface with an adsorption energy of 0.51 eV. The small diffusion barrier of 0.06 eV indicates a flat potential energy surface. Increased Na coverage results in a weak adsorbate-substrate interaction, which is evident in the larger separation from the surface in the cases of ${\mathrm{Na}}_{3},$ ${\mathrm{Na}}_{4},$ ${\mathrm{Na}}_{5},$ and the $(2\ifmmode\times\else\texttimes\fi{}2)$ Na overlayer. The binding is weak for ${\mathrm{Na}}_{2},$ which has a full valence el…
Tight-Binding Model for Spontaneous Magnetism of Quantum Dot Lattices
2003
We use a simple tight-binding model to study the magnetism of two-dimensional quantum dot lattices with 1 to 12 electrons per dot. The results show that in the middle of an electron shell the lattice favours antiferromagnetism while with nearly empty or full shells ferromagnetism is favoured. The size of the antiferromagnetic region increases with the coordination number of the dot. A one-dimensional dot lattice shows a spin-Peierls transition. The results for a square lattice are in good agreement with density functional calculations of Koskinen et al.
Challenge of magnetism in strongly correlated open-shell 2p systems.
2009
We report on theoretical investigations of the exotic magnetism in rubidium sesquioxide ${\mathrm{Rb}}_{4}{\mathrm{O}}_{6}$, a model correlated system with an open $2p$ shell. Experimental investigations indicated that ${\mathrm{Rb}}_{4}{\mathrm{O}}_{6}$ is a magnetically frustrated insulator. The frustration is explained here by electronic structure calculations that incorporate the correlation between the oxygen $2p$ electrons and deal with the mixed-valent oxygen. This leads to a physical picture where the symmetry is reduced because one third of the oxygen in ${\mathrm{Rb}}_{4}{\mathrm{O}}_{6}$ is nonmagnetic while the remaining two thirds assemble in antiferromagnetic arrangements. A d…
Size-consistent self-consistent configuration interaction from a complete active space : Excited states
1998
The self-consistent size consistent on a complete active space singly and doubly configuration interaction (SC)2CAS-SDCI method is applied to excited states. The (SC)2 correction is performed on a closed shell state, and the excited states are obtained by diagonalization of the dressed matrix. A theoretical justification of the transferability of the improvement concerning the dressing state to all roots of the matrix is presented. The method is tested by three tests on the spectrum of small molecules. sanchezm@uv.es ; nebot@uv.es
Spin-restricted open-shell coupled-cluster theory for excited states
2000
Using a linear-response approach, the recently introduced spin-restricted coupled-cluster (SR-CC) theory is extended to the treatment of excited states of high-spin open-shell molecules. Explicit equations are given within the usual singles and doubles approximation and our implementation (within an existing spin–orbital code) is described. It is shown that in SR-CC theory, due to spin constraints, the spin-expectation value for the excited states calculated as corresponding energy derivatives always corresponds to the exact value. In addition, the SR-CC singles and doubles (SR-CCSD) approach is extended to include also the so-called pseudotriple excitations (best described as double excita…