From ultraslow to extremely fast dynamics in sodium nitrate

Increasing dynamics in solids featuring nuclei subjected to second-order quadrupolar interactions lead to central-transition spectra that undergo two consecutive line-shaped transitions. Conventional motional narrowing occurs when the molecular exchange rate is on the order of the strength of the dominant interaction. In a second step, the resulting intermediately narrowed spectra change further when the motion becomes faster than the Larmor precession rate, leading to terminally narrowed spectra that can display a residual quadrupolar shift. We derive analytic expressions for this shift and analyze the quadrupolar central-transition spectra in terms of CN symmetrical cone models. Increasing the number of sites to N ≥ 3, the terminally narrowed spectra remain unaltered, while the intermediately narrowed spectra remain unaltered only for N ≥ 5. This finding relates to the different (cubic vs. icosahedral) symmetries that are required to average out the spatial second- and fourth-rank terms in the second-order quadrupolar interaction. Following recent work (Hung et al., Solid State Nucl Magn Reson 84:14–19, 2017), 17O NMR is applied to examine the three-site rotation of the nitrate group in NaNO3. Line shapes are measured and analyzed, and in addition to prior work, satellite-transition and stimulated-echo experiments are carried out. The final-state amplitudes extracted from the latter are reproduced using model calculations. It is shown how two-dimensional exchange spectra relating to N-site cone motions can be decomposed in terms of effective two-site-jump spectra. This latter approach is successfully tested for NaNO3

Prominent role of multielectron processes in K -shell double and triple photodetachment of oxygen anions

The photon-ion merged-beam technique was used at a synchrotron light source for measuring the absolute cross sections of the double and triple photodetachment of O- ions. The experimental photon energy range of 524-543 eV comprised the threshold for K-shell ionization. Using resolving powers of up to 13 000, the position, strength, and width of the below-threshold 1s2s22p6 S2 resonance as well as the positions of the 1s2s22p5 P3 and 1s2s22p5 P1 thresholds for K-shell ionization were determined with high precision. In addition, systematically enlarged multiconfiguration Dirac-Fock calculations have been performed for the resonant detachment cross sections. Results from these ab initio computations agree very well with the measurements for the widths and branching fractions for double and triple detachment, if double shakeup (and shakedown) of the valence electrons and the rearrangement of the electron density is taken into account. For the absolute cross sections, however, a previously found discrepancy between measurements and theory is confirmed. © 2016 American Physical Society

Changes in nuclear structure along the Mn isotopic chain studied via charge radii.

The hyperfine spectra of Mn-51,Mn-53-64 were measured in two experimental runs using collinear laser spectroscopy at ISOLDE, CERN. Laser spectroscopy was performed on the atomic 3d(5) 4s(2) S-6(5/2) -> 3d(5) 4s4p P-6(3/2) and ionic 3d(5) 4s S-5(2) -> 3d(5) 4p P-5(3) transitions, yielding two sets of isotope shifts. The mass and field shift factors for both transitions have been calculated in the multiconfiguration Dirac-Fock framework and were combined with a King plot analysis in order to obtain a consistent set of mean-square charge radii which, together with earlier work on neutron-deficient Mn, allow the study of nuclear structure changes from N = 25 across N = 28 up to N = 39. A clear development of deformation is observed towards N = 40, confirming the conclusions of the nuclear moments studies. From a Monte Carlo shell-model study of the shape in the Mn isotopic chain, it is suggested that the observed development of deformation is not only due to an increase in static prolate deformation but also due to shape fluctuations and triaxiality. The changes in mean-square charge radii are well reproduced using the Duflo-Zuker formula except in the case of large deformation

Changes in nuclear structure along the Mn isotopic chain studied via charge radii

The hyperfine spectra of Mn-51,Mn-53-64 were measured in two experimental runs using collinear laser spectroscopy at ISOLDE, CERN. Laser spectroscopy was performed on the atomic 3d(5) 4s(2) S-6(5/2)-> 3d(5) 4s4p P-6(3/2) and ionic 3d(5) 4s S-5(2)-> 3d(5) 4p P-5(3) transitions, yielding two sets of isotope shifts. The mass and field shift factors for both transitions have been calculated in the multiconfiguration Dirac-Fock framework and were combined with a King plot analysis in order to obtain a consistent set of mean-square charge radii which, together with earlier work on neutron-deficient Mn, allow the study of nuclear structure changes from N = 25 across N = 28 up to N = 39. A clear development of deformation is observed towards N = 40, confirming the conclusions of the nuclear moments studies. From a Monte Carlo shell-model study of the shape in the Mn isotopic chain, it is suggested that the observed development of deformation is not only due to an increase in static prolate deformation but also due to shape fluctuations and triaxiality. The changes in mean-square charge radii are well reproduced using the Duflo-Zuker formula except in the case of large deformation.Peer reviewe

Probing Sizes and Shapes of Nobelium Isotopes by Laser Spectroscopy

Until recently, ground-state nuclear moments of the heaviest nuclei could only be inferred from nuclear spectroscopy, where model assumptions are required. Laser spectroscopy in combination with modern atomic structure calculations is now able to probe these moments directly, in a comprehensive and nuclear-model-independent way. Here we report on unique access to the differential mean-square charge radii of 252, 253, 254No, and therefore to changes in nuclear size and shape. State-of-the-art nuclear density functional calculations describe well the changes in nuclear charge radii in the region of the heavy actinides, indicating an appreciable central depression in the deformed proton density distribution in 252, 254No isotopes. Finally, the hyperfine splitting of 253No was evaluated, enabling a complementary measure of its (quadrupole) deformation, as well as an insight into the neutron single-particle wave function via the nuclear spin and magnetic moment

The Lanczos Algorithm in Relativistic Quantum Dynamics

The Lanczos algorithm is applied to solve relativistic quantum mechanical problems based on the Dirac and Klein-Gordon equation numerically. This method is applicable when the action of the Hamiltonian on a state vector is known. No further requirements on the Hamiltonian, or the underlying discretization, are necessary. It is demonstrated, that the Lanczos algorithm can be used to precisely calculate approximate bound states of relativistic Hamiltonians, as well as their energies. Our results show that the Lanczos algorithm converges very fast to bound states of relativistic Hamiltonians, despite their energy spectrum not being bounded. It is also shown that very precise numerical time propagation with arbitrary electromagnetic fields can be performed. This is demonstrated in one and two dimensions, the precision is analyzed by means of free wave packets where an analytical solution can be computed. The application of the Lanczos algorithm is especially attractive because it only requires matrix-vector and vector products, which can easily be parallelized. This makes the Lanczos algorithm an ideal tool for large scale parallel calculations. We demonstrate the excellent parallelization capabilities of the Lanczos algorithm by an implementation of the relativistic time-evolution operator based on the Message Passing Interface standard