Glory Oscillations in the Index of Refraction for Matter-Waves

We have measured the index of refraction for sodium de Broglie waves in gases of Ar, Kr, Xe, and nitrogen over a wide range of sodium velocities. We observe glory oscillations -- a velocity-dependent oscillation in the forward scattering amplitude. An atom interferometer was used to observe glory oscillations in the phase shift caused by the collision, which are larger than glory oscillations observed in the cross section. The glory oscillations depend sensitively on the shape of the interatomic potential, allowing us to discriminate among various predictions for these potentials, none of which completely agrees with our measurements

Quasiclassical double photoionization from the 2^{1,3}S excited states of helium including shakeoff

We account for the different symmetries of the 2^{1,3}S helium excited states in a quasiclassical description of the knockout mechanism augmented by a quantum shakeoff contribution. We are thus able to formulate the separate contribution of the knockout and shakeoff mechanisms for double photoionization for any excess energy from the 2^{1,3}S states. Photoionization ratios and singly differential cross sections calculated for the 2^{1,3}S excited states of helium are found to be in very good agreement with recent theoretical results.Comment: 9 pages, 5 figure

Macrodimers: ultralong range Rydberg molecules

We study long range interactions between two Rydberg atoms and predict the existence of ultralong range Rydberg dimers with equilibrium distances of many thousand Bohr radii. We calculate the dispersion coefficients $C_{5}$, $C_{6}$ and $C_{8}$ for two rubidium atoms in the same excited level $np$, and find that they scale like $n^{8}$, $n^{11}$ and $n^{15}$, respectively. We show that for certain molecular symmetries, these coefficients lead to long range potential wells that can support molecular bound levels. Such macrodimers would be very sensitive to their environment, and could probe weak interactions. We suggest experiments to detect these macrodimers.Comment: 4 pages, submitted to PR

Acceleration of generalized hypergeometric functions through precise remainder asymptotics

We express the asymptotics of the remainders of the partial sums {s_n} of the generalized hypergeometric function q+1_F_q through an inverse power series z^n n^l \sum_k c_k/n^k, where the exponent l and the asymptotic coefficients {c_k} may be recursively computed to any desired order from the hypergeometric parameters and argument. From this we derive a new series acceleration technique that can be applied to any such function, even with complex parameters and at the branch point z=1. For moderate parameters (up to approximately ten) a C implementation at fixed precision is very effective at computing these functions; for larger parameters an implementation in higher than machine precision would be needed. Even for larger parameters, however, our C implementation is able to correctly determine whether or not it has converged; and when it converges, its estimate of its error is accurate.Comment: 36 pages, 6 figures, LaTeX2e. Fixed sign error in Eq. (2.28), added several references, added comparison to other methods, and added discussion of recursion stabilit

From Majorana theory of atomic autoionization to Feshbach resonances in high temperature superconductors

The Ettore Majorana paper - Theory of incomplete P triplets- published in 1931, focuses on the role of selection rules for the non-radiative decay of two electron excitations in atomic spectra, involving the configuration interaction between discrete and continuum channels. This work is a key step for understanding the 1935 work of Ugo Fano on the asymmetric lineshape of two electron excitations and the 1958 Herman Feshbach paper on the shape resonances in nuclear scattering arising from configuration interaction between many different scattering channels. The Feshbach resonances are today of high scientific interest in many different fields and in particular for ultracold gases and high Tc superconductivity.Comment: 13 pages, 7 figures. Journal of Superconductivity and Novel Magnetism to be publishe

Protonation States of Remote Residues Affect Binding-Release Dynamics of the Ligand but not the Conformation of apo Ferric Binding Protein

We have studied the apo (Fe3+ free) form of periplasmic ferric binding protein (FbpA) under different conditions and we have monitored the changes in the binding and release dynamics of H2PO4- that acts as a synergistic anion in the presence of Fe3+. Our simulations predict a dissociation constant of 2.2$\pm$0.2 mM which is in remarkable agreement with the experimentally measured value of 2.3$\pm$0.3 mM under the same ionization strength and pH conditions. We apply perturbations relevant for changes in environmental conditions as (i) different values of ionic strength (IS), and (ii) protonation of a group of residues to mimic a different pH environment. Local perturbations are also studied by protonation or mutation of a site distal to the binding region that is known to mechanically manipulate the hinge-like motions of FbpA. We find that while the average conformation of the protein is intact in all simulations, the H2PO4- dynamics may be substantially altered by the changing conditions. In particular, the bound fraction which is 20$\%$ for the wild type system is increased to 50$\%$ with a D52A mutation/protonation and further to over 90$\%$ at the protonation conditions mimicking those at pH 5.5. The change in the dynamics is traced to the altered electrostatic distribution on the surface of the protein which in turn affects hydrogen bonding patterns at the active site. The observations are quantified by rigorous free energy calculations. Our results lend clues as to how the environment versus single residue perturbations may be utilized for regulation of binding modes in hFbpA systems in the absence of conformational changes.Comment: 26 pages, 4 figure

The PhenX Toolkit: Get the Most From Your Measures

The potential for genome-wide association studies to relate phenotypes to specific genetic variation is greatly increased when data can be combined or compared across multiple studies. To facilitate replication and validation across studies, RTI International (Research Triangle Park, North Carolina) and the National Human Genome Research Institute (Bethesda, Maryland) are collaborating on the consensus measures for Phenotypes and eXposures (PhenX) project. The goal of PhenX is to identify 15 high-priority, well-established, and broadly applicable measures for each of 21 research domains. PhenX measures are selected by working groups of domain experts using a consensus process that includes input from the scientific community. The selected measures are then made freely available to the scientific community via the PhenX Toolkit. Thus, the PhenX Toolkit provides the research community with a core set of high-quality, well-established, low-burden measures intended for use in large-scale genomic studies. PhenX measures will have the most impact when included at the experimental design stage. The PhenX Toolkit also includes links to standards and resources in an effort to facilitate data harmonization to legacy data. Broad acceptance and use of PhenX measures will promote cross-study comparisons to increase statistical power for identifying and replicating variants associated with complex diseases and with gene-gene and gene-environment interactions

Gauss hypergeometric function: reduction, epsilon-expansion for integer/half-integer parameters and Feynman diagrams

The Gauss hypergeometric functions 2F1 with arbitrary values of parameters are reduced to two functions with fixed values of parameters, which differ from the original ones by integers. It is shown that in the case of integer and/or half-integer values of parameters there are only three types of algebraically independent Gauss hypergeometric functions. The epsilon-expansion of functions of one of this type (type F in our classification) demands the introduction of new functions related to generalizations of elliptic functions. For the five other types of functions the higher-order epsilon-expansion up to functions of weight 4 are constructed. The result of the expansion is expressible in terms of Nielsen polylogarithms only. The reductions and epsilon-expansion of q-loop off-shell propagator diagrams with one massive line and q massless lines and q-loop bubble with two-massive lines and q-1 massless lines are considered. The code (Mathematica/FORM) is available via the www at this URL http://theor.jinr.ru/~kalmykov/hypergeom/hyper.htmlComment: 19 pages, LaTeX, 1-eps figure; v5: The code (Mathematica/FORM) is available via the www http://theor.jinr.ru/~kalmykov/hypergeom/hyper.htm

Numerical methods for the computation of the confluent and Gauss hypergeometric functions

The two most commonly used hypergeometric functions are the confluent hypergeometric function and the Gauss hypergeometric function. We review the available techniques for accurate, fast, and reliable computation of these two hypergeometric functions in different parameter and variable regimes. The methods that we investigate include Taylor and asymptotic series computations, Gauss-Jacobi quadrature, numerical solution of differential equations, recurrence relations, and others. We discuss the results of numerical experiments used to determine the best methods, in practice, for each parameter and variable regime considered. We provide 'roadmaps' with our recommendation for which methods should be used in each situation

Basic Methods for Computing Special Functions

This paper gives an overview of methods for the numerical evaluation of special functions, that is, the functions that arise in many problems from mathematical physics, engineering, probability theory, and other applied sciences. We consider in detail a selection of basic methods which are frequently used in the numerical evaluation of special functions: converging and asymptotic series, including Chebyshev expansions, linear recurrence relations, and numerical quadrature. Several other methods are available and some of these will be discussed in less detail. We give examples of recent software for special functions where these methods are used. We mention a list of new publications on computational aspects of special functions available on our website