Exact Gaussian expansions of Slater-type atomic orbitals

Three exact Slater-type function (STO) integral transforms are presented. The STO-NG basis set can then be developed using either only 1s Gaussian functions, the same Gaussian exponents for each shell, or using the first Gaussian of each symmetry. The use of any of these three alternatives depends only on appropriate numerical integration techniques.     

On a modification of the Clenshaw-Curtis quadrature formula

In this paper we discuss a modification of the Clenshaw-Curtis quadrature formula. It is shown that for integrals, where the integrand may be expanded in a sufficiently rapid convergent Chebyshev series, we may split the sequence of calculated approximations into two sequences, one which approximates the integral from above and one which approximates it from below. Thus, at any step during the calculation we obtain both upper and lower bounds for the true value of the integral.Work performed while the author was working as a visiting scientist at CERN/Geneve.     

Experiments with a symbolic programming system for complex analysis

The paper reports the results of work on the construction of LISP programs for various symbolic operations in complex analysis, including the evaluation of integrals around closed contours by the use of Cauchy's Theorem. It is concluded that the only difficulty in the way of the preparation of programs for all of the important and useful textbook calculations in complex analysis is that large amounts of fast storage in the computer are needed.     

Search for Higgs Boson in UHE Cosmic Rays

Considering the SM Higgs boson mass in the range of (95–235) GeV, we present here a mechanism for indirect searches of this scalar in UHE cosmic rays interactions. The mechanism is the decay of Higgs bosons which are produced through bubble formation due to vacuum excitation in an UHE cosmic rays interactions with air nuclei. We develop a model of hadronic interaction based on algorithms of the GENCL code of the UA5 experiment of CERN and some physics of CORSIKA code (Karlsruhe report), incorporating a fraction of energy transfer to bubble formation through vacuum excitation and subsequent multiparticle production via conversion of Higgs boson to heavy fermion pairs. Such events are expected to have high multiplicity and excess muons. This mechanism has significant effect starting from E _P 10¹⁸eV. It is found that the average muon number decreases gradually upto 175 GeV Higgs boson mass and remain practically constant thereafter for all primary energies (E _P) above 10¹⁸ eV and for all fractions of energy transfer (f _e 0.01–0.5). The fluctuation of muon multiplicity decreases with E _P and increases very slowly with Higgs mass upto 175 GeV, remaining practically invariant thereafter.     

An evaluation of the radial part of numerical integration commonly used in DFT

Recently, Gill and Chien introduced a new radial quadrature for multiexponential integrands (MultiExp grid) to deal with the radial part of the numerical integration. In this article, the MultiExp grid is studied and used to integrate the charge density. The MultiExp grid, along with an optimal pruning scheme, performed very well both in terms of accuracy and efficiency compared to other radial mappings commonly used in Density Functional Theory.     

Explicit Expressions for the Ruin Probabilities of Erlang Risk Processes with Pareto Individual Claim Distributions

In this paper we first consider a risk process in which claim inter-arrival times and the time untilthe first claim have an Erlang (2) distribution.An explicit solution is derived for the probability of ultimateruin,given an initial reserve of u when the claim size follows a Pareto distribution.Follow Ramsay,Laplacetransforms and exponential integrals are used to derive the solution,which involves a single integral of realvalued functions along the positive real line,and the integrand is not of an oscillating kind.Then we showthat the ultimate ruin probability can be expressed as the sum of expected values of functions of two differentGamma random variables.Finally,the results are extended to the Erlang(n) case.Numerical examples aregiven to illustrate the main results.     

On tractability of weighted integration over bounded and unbounded regions in

We prove that for the space of functions with mixed first derivatives bounded in norm, the weighted integration problem over bounded or unbounded regions is equivalent to the corresponding classical integration problem over the unit cube, provided that the integration domain and weight have product forms. This correspondence yields tractability of the general weighted integration problem.

     

On strong tractability of weighted multivariate integration

We prove that for every dimension and every number of points, there exists a point-set whose -weighted unanchored discrepancy is bounded from above by independently of provided that the sequence has for some (even arbitrarily large) . Here is a positive number that could be chosen arbitrarily close to zero and depends on but not on or . This result yields strong tractability of the corresponding integration problems including approximation of weighted integrals over unbounded domains such as . It also supplements the results that provide an upper bound of the form when .

     

High-dimensional model representations generated from low order terms--lp-RS-HDMR

High-dimensional model representation (HDMR) is a general set of quantitative model assessment and analysis tools for improving the efficiency of deducing high dimensional input-output system behavior. RS-HDMR is a particular form of HDMR based on random sampling (RS) of the input variables. The component functions in an HDMR expansion are optimal choices tailored to the n-variate function f(x) being represented over the desired domain of the n-dimensional vector x. The high-order terms (usually larger than second order, or equivalently beyond cooperativity between pairs of variables) in the expansion are often negligible. When it is necessary to go beyond the first and the second order RS-HDMR, this article introduces a modified low-order term product (lp)-RS-HDMR method to approximately represent the high-order RS-HDMR component functions as products of low-order functions. Using this method the high-order truncated RS-HDMR expansions may be constructed without directly computing the original high-order terms. The mathematical foundations of lp-RS-HDMR are presented along with an illustration of its utility in an atmospheric chemical kinetics model.     

Weighted Discrepancy and High-Dimensional Numerical Integration

The concept of weighted discrepancy of sequences was introduced by Sloan and Woniakowski when they proved a general form of a Koksma–Hlawka inequality for the numerical integration of functions. This version takes imbalances in the importance of the projections of the integrand into account.In this paper we give estimates for the weighted discrepancy of several important point sets. Further we carry out various (high-dimensional) numerical integration experiments and we compare the results with the error bounds provided by the generalized Koksma–Hlawka inequality and by the estimates for the weighted discrepancy. Finally we discuss various consequences.