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

Order-N Density-Matrix Electronic-Structure Method for General Potentials

A new order-N method for calculating the electronic structure of general (non-tight-binding) potentials is presented. The method uses a combination of the ``purification''-based approaches used by Li, Nunes and Vanderbilt, and Daw, and a representation of the density matrix based on ``travelling basis orbitals''. The method is applied to several one-dimensional examples, including the free electron gas, the ``Morse'' bound-state potential, a discontinuous potential that mimics an interface, and an oscillatory potential that mimics a semiconductor. The method is found to contain Friedel oscillations, quantization of charge in bound states, and band gap formation. Quantitatively accurate agreement with exact results is found in most cases. Possible advantages with regard to treating electron-electron interactions and arbitrary boundary conditions are discussed.Comment: 13 pages, REVTEX, 7 postscript figures (not quite perfect

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

The Theory of the Interleaving Distance on Multidimensional Persistence Modules

In 2009, Chazal et al. introduced $\epsilon$-interleavings of persistence modules. $\epsilon$-interleavings induce a pseudometric $d_I$ on (isomorphism classes of) persistence modules, the interleaving distance. The definitions of $\epsilon$-interleavings and $d_I$ generalize readily to multidimensional persistence modules. In this paper, we develop the theory of multidimensional interleavings, with a view towards applications to topological data analysis. We present four main results. First, we show that on 1-D persistence modules, $d_I$ is equal to the bottleneck distance $d_B$. This result, which first appeared in an earlier preprint of this paper, has since appeared in several other places, and is now known as the isometry theorem. Second, we present a characterization of the $\epsilon$-interleaving relation on multidimensional persistence modules. This expresses transparently the sense in which two $\epsilon$-interleaved modules are algebraically similar. Third, using this characterization, we show that when we define our persistence modules over a prime field, $d_I$ satisfies a universality property. This universality result is the central result of the paper. It says that $d_I$ satisfies a stability property generalizing one which $d_B$ is known to satisfy, and that in addition, if $d$ is any other pseudometric on multidimensional persistence modules satisfying the same stability property, then $d\leq d_I$. We also show that a variant of this universality result holds for $d_B$, over arbitrary fields. Finally, we show that $d_I$ restricts to a metric on isomorphism classes of finitely presented multidimensional persistence modules.Comment: Major revision; exposition improved throughout. To appear in Foundations of Computational Mathematics. 36 page

Effects of three-nucleon forces and two-body currents on Gamow-Teller strengths

We optimize chiral interactions at next-to-next-to leading order to observables in two- and three-nucleon systems, and compute Gamow-Teller transitions in carbon-14, oxygen-22 and oxygen-24 using consistent two-body currents. We compute spectra of the daughter nuclei nitrogen-14, fluorine-22 and fluorine-24 via an isospin-breaking coupled-cluster technique, with several predictions. The two-body currents reduce the Ikeda sum rule, corresponding to a quenching factor q^2 ~ 0.84-0.92 of the axial-vector coupling. The half life of carbon-14 depends on the energy of the first excited 1+ state, the three-nucleon force, and the two-body current