Stopping time signatures for some algorithms in cryptography

We consider the normalized distribution of the overall running times of some cryptographic algorithms, and what information they reveal about the algorithms. Recent work of Deift, Menon, Olver, Pfrang, and Trogdon has shown that certain numerical algorithms applied to large random matrices exhibit a characteristic distribution of running times, which depends only on the algorithm but are independent of the choice of probability distributions for the matrices. Different algorithms often exhibit different running time distributions, and so the histograms for these running time distributions provide a time-signature for the algorithms, making it possible, in many cases, to distinguish one algorithm from another. In this paper we extend this analysis to cryptographic algorithms, and present examples of such algorithms with time-signatures that are indistinguishable, and others with time-signatures that are clearly distinct.Comment: 20 page

Embedded density functional theory for covalently bonded and strongly interacting subsystems

Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exact Embedding (EE) method [J. Chem. Phys. 133, 084103 (2010)] to calculate the large contributions of the nonadditive kinetic potential (NAKP) in such applications. Potential energy curves are computed for the dissociation of Li^+–Be, CH_3–CF_3, and hydrogen-bonded water clusters, and e-DFT results obtained using the EE method are compared with those obtained using approximate kinetic energy functionals. In all cases, the EE method preserves excellent agreement with reference Kohn–Sham calculations, whereas the approximate functionals lead to qualitative failures in the calculated energies and equilibrium structures. We also demonstrate an accurate pairwise approximation to the NAKP that allows for efficient parallelization of the EE method in large systems; benchmark calculations on molecular crystals reveal ideal, size-independent scaling of wall-clock time with increasing system size

The Radius of the Proton: Size Does Matter

The measurement by Pohl et al. [1] of the 2S_1/2^F=1 to 2P_3/2^F=2 transition in muonic hydrogen and the subsequent analysis has led to a conclusion that the rms charge radius of the proton differs from the accepted (CODATA [2]) value by approximately 4%, leading to a 4.9 s.d. discrepancy. We investigate the muonic hydrogen spectrum relevant to this transition using bound-state QED with Dirac wave-functions and comment on the extent to which the perturbation-theory analysis which leads to the above conclusion can be confirmed.Comment: Delayed arXiv submission. To appear in 'Proceedings of T(R)OPICALQCD 2010' (September 26 - October 1, 2010). 7 pages, 1 figure. Superseded by arXiv:1104.297

Uniform Asymptotics for Polynomials Orthogonal With Respect to a General Class of Discrete Weights and Universality Results for Associated Ensembles: Announcement of Results

We compute the pointwise asymptotics of orthogonal polynomials with respect to a general class of pure point measures supported on finite sets as both the number of nodes of the measure and also the degree of the orthogonal polynomials become large. The class of orthogonal polynomials we consider includes as special cases the Krawtchouk and Hahn classical discrete orthogonal polynomials, but is far more general. In particular, we consider nodes that are not necessarily equally spaced. The asymptotic results are given with error bound for all points in the complex plane except for a finite union of discs of arbitrarily small but fixed radii. These exceptional discs are the neighborhoods of the so-called band edges of the associated equilibrium measure. As applications, we prove universality results for correlation functions of a general class of discrete orthogonal polynomial ensembles, and in particular we deduce asymptotic formulae with error bound for certain statistics relevant in the random tiling of a hexagon with rhombus-shaped tiles. The discrete orthogonal polynomials are characterized in terms of a a Riemann-Hilbert problem formulated for a meromorphic matrix with certain pole conditions. By extending the methods of [17, 22], we suggest a general and unifying approach to handle Riemann-Hilbert problems in the situation when poles of the unknown matrix are accumulating on some set in the asymptotic limit of interest.Comment: 28 pages, 7 figure

Exact nonadditive kinetic potentials for embedded density functional theory

We describe an embedded density functional theory (DFT) protocol in which the nonadditive kinetic energy component of the embedding potential is treated exactly. At each iteration of the Kohn–Sham equations for constrained electron density, the Zhao–Morrison–Parr constrained search method for constructing Kohn–Sham orbitals is combined with the King-Handy expression for the exact kinetic potential. We use this formally exact embedding protocol to calculate ionization energies for a series of three- and four-electron atomic systems, and the results are compared to embedded DFT calculations that utilize the Thomas–Fermi (TF) and the Thomas–Fermi–von Weisacker approximations to the kinetic energy functional. These calculations illustrate the expected breakdown due to the TF approximation for the nonadditive kinetic potential, with errors of 30%–80% in the calculated ionization energies; by contrast, the exact protocol is found to be accurate and stable. To significantly improve the convergence of the new protocol, we introduce a density-based switching function to map between the exact nonadditive kinetic potential and the TF approximation in the region of the nuclear cusp, and we demonstrate that this approximation has little effect on the accuracy of the calculated ionization energies. Finally, we describe possible extensions of the exact protocol to perform accurate embedded DFT calculations in large systems with strongly overlapping subsystem densities

Nuclear Quasi-Elastic Electron Scattering Limits Nucleon Off-Mass Shell Properties

The use of quasi-elastic electron nucleus scattering is shown to provide significant constraints on models of the proton electromagnetic form factor of off-shell nucleons. Such models can be constructed to be consistent with constraints from current conservation and low-energy theorems, while also providing a contribution to the Lamb shift that might potentially resolve the proton radius puzzle in muonic hydrogen. However, observations of quasi-elastic scattering limit the overall strength of the off-shell form factors to values that correspond to small contributions to the Lamb shift.Comment: 11 pages, 2 figures. Resubmission to improve the clarity, and correct possible misconception

Density functional theory embedding for correlated wavefunctions: Improved methods for open-shell systems and transition metal complexes

Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the accuracy and stability of WFT-in-DFT embedding calculations. In particular, we develop spin-dependent embedding potentials in both restricted and unrestricted orbital formulations to enable WFT-in-DFT embedding for open-shell systems, and we develop an orbital-occupation-freezing technique to improve the convergence of optimized effective potential (OEP) calculations that arise in the evaluation of the embedding potential. The new techniques are demonstrated in applications to the van-der-Waals-bound ethylene-propylene dimer and to the hexaaquairon(II) transition-metal cation. Calculation of the dissociation curve for the ethylene-propylene dimer reveals that WFT-in-DFT embedding reproduces full CCSD(T) energies to within 0.1 kcal/mol at all distances, eliminating errors in the dispersion interactions due to conventional exchange-correlation (XC) functionals while simultaneously avoiding errors due to subsystem partitioning across covalent bonds. Application of WFT-in-DFT embedding to the calculation of the low-spin/high-spin splitting energy in the hexaaquairon(II) cation reveals that the majority of the dependence on the DFT XC functional can be eliminated by treating only the single transition-metal atom at the WFT level; furthermore, these calculations demonstrate the substantial effects of open-shell contributions to the embedding potential, and they suggest that restricted open-shell WFT-in-DFT embedding provides better accuracy than unrestricted open-shell WFT-in-DFT embedding due to the removal of spin contamination.Comment: 11 pages, 5 figures, 2 table

Blue Crab target setting: final report

We have developed a hierarchy of target levels, designated to address sustainability, efficiency, and recovery scenarios. Targets were derived from: 1) reported catches and effort in the commercial fishery, 2) statistics from fishery-independent surveys, and 3) knowledge of the biology of blue crab. Targets that are recommended include population sizes, catches, and effort levels, as well as reference fishing mortality rates. They are intended to be conservative and risk-averse. (PDF contains 182 pages