Search results for "hell"
showing 10 items of 1035 documents
Spins and Magnetic Moments ofK49andK51: Establishing the1/2+and3/2+Level Ordering BeyondN=28
2013
The ground-state spins and magnetic moments of $^{49,51}\mathrm{K}$ have been measured using bunched-beam high-resolution collinear laser spectroscopy at ISOLDE CERN. For $^{49}\mathrm{K}$ a ground-state spin $I=1/2$ was firmly established. The observed hyperfine structure of $^{51}\mathrm{K}$ requires a spin $Ig1/2$ and strongly suggests $I=3/2$. From its magnetic moment $\ensuremath{\mu}(^{51}\mathrm{K})=+0.5129(22){\ensuremath{\mu}}_{N}$ a spin-parity ${I}^{\ensuremath{\pi}}=3/{2}^{+}$ with a dominant $\ensuremath{\pi}1{d}_{3/2}^{\ensuremath{-}1}$ hole configuration was deduced. This establishes for the first time the reinversion of the single-particle levels and illustrates the prominen…
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…
Spectrum-shape method and the next-to-leading-order terms of the β-decay shape factor
2017
Effective values of the axial-vector coupling constant ${g}_{\mathrm{A}}$ have lately attracted much attention due to the prominent role of ${g}_{\mathrm{A}}$ in determining the half-lives of double $\ensuremath{\beta}$ decays, in particular their neutrinoless mode. The half-life method, i.e., comparing the calculated half-lives to the corresponding experimental ones, is the most widely used method to access the effective values of ${g}_{\mathrm{A}}$. The present paper investigates the possibilities offered by a complementary method: the spectrum-shape method (SSM). In the SSM, comparison of the shapes of the calculated and measured $\ensuremath{\beta}$ electron spectra of forbidden nonuniq…
Forbidden nonuniqueβdecays and effective values of weak coupling constants
2016
Forbidden nonunique $\ensuremath{\beta}$ decays feature shape functions that are complicated combinations of different nuclear matrix elements and phase-space factors. Furthermore, they depend in a very nontrivial way on the values of the weak coupling constants, ${g}_{\mathrm{V}}$ for the vector part and ${g}_{\mathrm{A}}$ for the axial-vector part. In this work we include also the usually omitted second-order terms in the shape functions to see their effect on the computed decay half-lives and electron spectra ($\ensuremath{\beta}$ spectra). As examples we study the fourth-forbidden nonunique ground-state-to-ground-state ${\ensuremath{\beta}}^{\ensuremath{-}}$ decay branches of $^{113}\ma…
Octupole states in Tl207 studied through β decay
2020
The β decay of 207Hg into the single-proton-hole nucleus 207Tl has been studied through γ-ray spectroscopy at the ISOLDE Decay Station (IDS) with the aim of identifying states resulting from coupling of the πs−11/2, πd−13/2, and πh−111/2 shell model orbitals to the collective octupole vibration. Twenty-two states were observed lying between 2.6 and 4.0 MeV, eleven of which were observed for the first time, and 78 new transitions were placed. Two octupole states (s1/2-coupled) are identified and three more states (d3/2-coupled) are tentatively assigned using spin-parity inferences, while further h11/2-coupled states may also have been observed for the first time. Comparisons are made with st…
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…