Quasimodularity and large genus limits of Siegel-Veech constants

Quasimodular forms were first studied in the context of counting torus coverings. Here we show that a weighted version of these coverings with Siegel-Veech weights also provides quasimodular forms. We apply this to prove conjectures of Eskin and Zorich on the large genus limits of Masur-Veech volumes and of Siegel-Veech constants. In Part I we connect the geometric definition of Siegel-Veech constants both with a combinatorial counting problem and with intersection numbers on Hurwitz spaces. We introduce modified Siegel-Veech weights whose generating functions will later be shown to be quasimodular. Parts II and III are devoted to the study of the quasimodularity of the generating functions arising from weighted counting of torus coverings. The starting point is the theorem of Bloch and Okounkov saying that q-brackets of shifted symmetric functions are quasimodular forms. In Part II we give an expression for their growth polynomials in terms of Gaussian integrals and use this to obtain a closed formula for the generating series of cumulants that is the basis for studying large genus asymptotics. In Part III we show that the even hook-length moments of partitions are shifted symmetric polynomials and prove a formula for the q-bracket of the product of such a hook-length moment with an arbitrary shifted symmetric polynomial. This formula proves quasimodularity also for the (-2)-nd hook-length moments by extrapolation, and implies the quasimodularity of the Siegel-Veech weighted counting functions. Finally, in Part IV these results are used to give explicit generating functions for the volumes and Siegel-Veech constants in the case of the principal stratum of abelian differentials. To apply these exact formulas to the Eskin-Zorich conjectures we provide a general framework for computing the asymptotics of rapidly divergent power series.Comment: 107 pages, final version, to appear in J. of the AM

New DNLS Equations for Anharmonic Vibrational Impurities

We examine some new DNLS-like equations that arise when considering strongly-coupled electron-vibration systems, where the local oscillator potential is anharmonic. In particular, we focus on a single, rather general nonlinear vibrational impurity and determine its bound state(s) and its dynamical selftrapping properties.Comment: 16 pages, 5 figure

Nonsingular density profiles of dark matter halos and Strong gravitational lensing

We use the statistics of strong gravitational lenses to investigate whether mass profiles with a flat density core are supported. The probability for lensing by halos modeled by a nonsingular truncated isothermal sphere (NTIS) with image separations greater than a certain value (ranging from zero to ten arcseconds) is calculated. NTIS is an analytical model for the postcollapse equilibrium structure of virialized objects derived by Shapiro, Iliev & Raga. This profile has a soft core and matches quite well with the mass profiles of dark matter-dominated dwarf galaxies deduced from their observed rotation curves. It also agrees well with the NFW (Navarro-Frenk-White) profile at all radii outside of a few NTIS core radii. Unfortunately, comparing the results with those for singular lensing halos (NFW and SIS+NFW) and strong lensing observations, the probabilities for lensing by NTIS halos are far too low. As this result is valid for any other nonsingular density profiles (with a large core radius), we conclude that nonsingular density profiles (with a large core radius) for CDM halos are ruled out by statistics of strong gravitational lenses.Comment: 17 pages, 4 figures, ApJ accepted. Final version matches the proofs. A curve in figure 2 is corrected, conclusions unchange

Accelerating Atomic Orbital-based Electronic Structure Calculation via Pole Expansion and Selected Inversion

We describe how to apply the recently developed pole expansion and selected inversion (PEXSI) technique to Kohn-Sham density function theory (DFT) electronic structure calculations that are based on atomic orbital discretization. We give analytic expressions for evaluating the charge density, the total energy, the Helmholtz free energy and the atomic forces (including both the Hellman-Feynman force and the Pulay force) without using the eigenvalues and eigenvectors of the Kohn-Sham Hamiltonian. We also show how to update the chemical potential without using Kohn-Sham eigenvalues. The advantage of using PEXSI is that it has a much lower computational complexity than that associated with the matrix diagonalization procedure. We demonstrate the performance gain by comparing the timing of PEXSI with that of diagonalization on insulating and metallic nanotubes. For these quasi-1D systems, the complexity of PEXSI is linear with respect to the number of atoms. This linear scaling can be observed in our computational experiments when the number of atoms in a nanotube is larger than a few hundreds. Both the wall clock time and the memory requirement of PEXSI is modest. This makes it even possible to perform Kohn-Sham DFT calculations for 10,000-atom nanotubes with a sequential implementation of the selected inversion algorithm. We also perform an accurate geometry optimization calculation on a truncated (8,0) boron-nitride nanotube system containing 1024 atoms. Numerical results indicate that the use of PEXSI does not lead to loss of accuracy required in a practical DFT calculation

Non-universal size dependence of the free energy of confined systems near criticality

The singular part of the finite-size free energy density $f_s$ of the O(n) symmetric $\phi^4$ field theory in the large-n limit is calculated at finite cutoff for confined geometries of linear size L with periodic boundary conditions in 2 < d < 4 dimensions. We find that a sharp cutoff $\Lambda$ causes a non-universal leading size dependence $f_s \sim \Lambda^{d-2} L^{-2}$ near $T_c$ which dominates the universal scaling term $\sim L^{-d}$. This implies a non-universal critical Casimir effect at $T_c$ and a leading non-scaling term $\sim L^{-2}$ of the finite-size specific heat above $T_c$.Comment: RevTex, 4 page

Addressing business agility challenges with enterprise systems

It is clear that systems agility (i.e., having a responsive IT infrastructure that can be changed quickly to meet changing business needs) has become a critical component of organizational agility. However, skeptics continue to suggest that, despite the benefits enterprise system packages provide, they are constraining choices for firms faced with agility challenges. The reason for this skepticism is that the tight integration between different parts of the business that enables many enterprise systems\u27 benefits also increases the systems\u27 complexity, and this increased complexity, say the skeptics, increases the difficulty of changing systems when business needs change. These persistent concerns motivated us to conduct a series of interviews with business and IT managers in 15 firms to identify how they addressed, in total, 57 different business agility challenges. Our analysis suggests that when the challenges involved an enterprise system, firms were able to address a high percentage of their challenges with four options that avoid the difficulties associated with changing the complex core system: capabilities already built-in to the package but not previously used, leveraging globally consistent integrated data already available, using add-on systems available on the market that easily interfaced with the existing enterprise system, and vendor provided patches that automatically updated the code. These findings have important implications for organizations with and without enterprise system architectures

Electronic structure interpolation via atomic orbitals

We present an efficient scheme for accurate electronic structure interpolations based on the systematically improvable optimized atomic orbitals. The atomic orbitals are generated by minimizing the spillage value between the atomic basis calculations and the converged plane wave basis calculations on some coarse $k$-point grid. They are then used to calculate the band structure of the full Brillouin zone using the linear combination of atomic orbitals (LCAO) algorithms. We find that usually 16 -- 25 orbitals per atom can give an accuracy of about 10 meV compared to the full {\it ab initio} calculations. The current scheme has several advantages over the existing interpolation schemes. The scheme is easy to implement and robust which works equally well for metallic systems and systems with complex band structures. Furthermore, the atomic orbitals have much better transferability than the Shirley's basis and Wannier functions, which is very useful for the perturbation calculations