Low-lying states in near-magic odd-odd nuclei and the effective interaction

The iterative quasi-particle-random-phase approximation (QRPA) method we previously developed to accurately calculate properties of individual nuclear states is extended so that it can be applied for nuclei with odd numbers of neutrons and protons. The approach is based on the proton-neutron-QRPA (pnQRPA) and uses an iterative non-hermitian Arnoldi diagonalization method where the QRPA matrix does not have to be explicitly calculated and stored. The method is used to calculate excitation energies of proton-neutron multiplets for several nuclei. The influence of a pairing interaction in the $T=0$ channel is studied

Effective pseudopotential for energy density functionals with higher order derivatives

We derive a zero-range pseudopotential that includes all possible terms up to sixth order in derivatives. Within the Hartree-Fock approximation, it gives the average energy that corresponds to a quasi-local nuclear Energy Density Functional (EDF) built of derivatives of the one-body density matrix up to sixth order. The direct reference of the EDF to the pseudopotential acts as a constraint that divides the number of independent coupling constants of the EDF by two. This allows, e.g., for expressing the isovector part of the functional in terms of the isoscalar part, or vice versa. We also derive the analogous set of constraints for the coupling constants of the EDF that is restricted by spherical, space-inversion, and time-reversal symmetries.Comment: 18 LaTeX pages, 2 EPS Figures, 27 Tables, and 18 files of the supplemental material (LaTeX, Mathematica, and Fortran), introduction rewritten, table XXVII and figure 2 corrected, in press in Physical Review

Fluctuating parts of nuclear ground state correlation energies

Background: Heavy atomic nuclei are often described using the Hartree-Fock-Bogoliubov (HFB) method. In principle, this approach takes into account Pauli effects and pairing correlations while other correlation effects are mimicked through the use of effective density-dependent interactions. Purpose: Investigate the influence of higher order correlation effects on nuclear binding energies using Skyrme's effective interaction. Methods: A cut-off in relative momenta is introduced in order to remove ultraviolet divergences caused by the zero-range character of the interaction. Corrections to binding energies are then calculated using the quasiparticle-random-phase approximation (QRPA) and second order many-body perturbation theory (MBPT2). Result: Contributions to the correlation energies are evaluated for several isotopic chains and an attempt is made to disentangle which parts give rise to fluctuations that may be difficult to incorporate on the HFB level. The dependence of the results on the cut-off is also investigated. Conclusions: The improved interaction allows explicit summations of perturbation series which is useful for the description of some nuclear observables. However, refits of the interaction parameters are needed to obtain more quantitative results

Convergence of density-matrix expansions for nuclear interactions

We extend density-matrix expansions in nuclei to higher orders in derivatives of densities and test their convergence properties. The expansions allow for converting the interaction energies characteristic to finite- and short-range nuclear effective forces into quasi-local density functionals. We also propose a new type of expansion that has excellent convergence properties when benchmarked against the binding energies obtained for the Gogny interaction.Comment: 4 pages, 3 figure

Modeling of Covalent Bonding in Solids by Inversion of Cohesive Energy Curves

We provide a systematic test of empirical theories of covalent bonding in solids using an exact procedure to invert ab initio cohesive energy curves. By considering multiple structures of the same material, it is possible for the first time to test competing angular functions, expose inconsistencies in the basic assumption of a cluster expansion, and extract general features of covalent bonding. We test our methods on silicon, and provide the direct evidence that the Tersoff-type bond order formalism correctly describes coordination dependence. For bond-bending forces, we obtain skewed angular functions that favor small angles, unlike existing models. As a proof-of-principle demonstration, we derive a Si interatomic potential which exhibits comparable accuracy to existing models.Comment: 4 pages revtex (twocolumn, psfig), 3 figures. Title and some wording (but no content) changed since original submission on 24 April 199

The formation of IRIS diagnostics I. A quintessential model atom of Mg II and general formation properties of the Mg II h&k lines

NASA's Interface Region Imaging Spectrograph (IRIS) space mission will study how the solar atmosphere is energized. IRIS contains an imaging spectrograph that covers the Mg II h&k lines as well as a slit-jaw imager centered at Mg II k. Understanding the observations will require forward modeling of Mg II h&k line formation from 3D radiation-MHD models. This paper is the first in a series where we undertake this forward modeling. We discuss the atomic physics pertinent to h&k line formation, present a quintessential model atom that can be used in radiative transfer computations and discuss the effect of partial redistribution (PRD) and 3D radiative transfer on the emergent line profiles. We conclude that Mg II h&k can be modeled accurately with a 4-level plus continuum Mg II model atom. Ideally radiative transfer computations should be done in 3D including PRD effects. In practice this is currently not possible. A reasonable compromise is to use 1D PRD computations to model the line profile up to and including the central emission peaks, and use 3D transfer assuming complete redistribution to model the central depression.Comment: 13 pages, 13 figures, accepted for Ap

Correlation studies of fission fragment neutron multiplicities

We calculate neutron multiplicities from fission fragments with specified mass numbers for events having a specified total fragment kinetic energy. The shape evolution from the initial compound nucleus to the scission configurations is obtained with the Metropolis walk method on the five-dimensional potential-energy landscape, calculated with the macroscopic-microscopic method for the three-quadratic-surface shape family. Shape-dependent microscopic level densities are used to guide the random walk, to partition the intrinsic excitation energy between the two proto-fragments at scission, and to determine the spectrum of the neutrons evaporated from the fragments. The contributions to the total excitation energy of the resulting fragments from statistical excitation and shape distortion at scission is studied. Good agreement is obtained with available experimental data on neutron multiplicities in correlation with fission fragments from $^{235}$U(n$_{\rm th}$,f). At higher neutron energies a superlong fission mode appears which affects the dependence of the observables on the total fragment kinetic energy.Comment: 12 pages, 10 figure