Analytic Evaluation of Four-Particle Integrals with Complex Parameters

The method for analytic evaluation of four-particle integrals, proposed by Fromm and Hill, is generalized to include complex exponential parameters. An original procedure of numerical branch tracking for multiple valued functions is developed. It allows high precision variational solution of the Coulomb four-body problem in a basis of exponential-trigonometric functions of interparticle separations. Numerical results demonstrate high efficiency and versatility of the new method.Comment: 13 pages, 4 figure

Asymptotic expansion of n-dimensional Faxén-type integrals

The asymptotic expansion of n-dimensional extensions of Faxén’s integral In(z) are derived for large complex values of the variable z. The theory relies on the asymptotics of the generalised hypergeometric, orWright, function. The coefficients in the exponential expansion are obtained by means of an algorithm applicable for arbitrary n. Numerical examples are given to illustrate the accuracy of the expansions

The exponentially convergent trapezoidal rule

It is well known that the trapezoidal rule converges geometrically when applied to analytic functions on periodic intervals or the real line. The mathematics and history of this phenomenon are reviewed and it is shown that far from being a curiosity, it is linked with computational methods all across scientific computing, including algorithms related to inverse Laplace transforms, special functions, complex analysis, rational approximation, integral equations, and the computation of functions and eigenvalues of matrices and operators

Symbolic integration of a product of two spherical bessel functions with an additional exponential and polynomial factor

We present a mathematica package that performs the symbolic calculation of integrals of the form \int^{\infty}_0 e^{-x/u} x^n j_{\nu} (x) j_{\mu} (x) dx where $j_{\nu} (x)$ and $j_{\mu} (x)$ denote spherical Bessel functions of integer orders, with $\nu \ge 0$ and $\mu \ge 0$. With the real parameter $u>0$ and the integer $n$, convergence of the integral requires that $n+\nu +\mu \ge 0$. The package provides analytical result for the integral in its most simplified form. The novel symbolic method employed enables the calculation of a large number of integrals of the above form in a fraction of the time required for conventional numerical and Mathematica based brute-force methods. We test the accuracy of such analytical expressions by comparing the results with their numerical counterparts.Comment: 17 pages; updated references for the introductio

On the Number of Isolated Zeros of Pseudo-Abelian Integrals: Degeneracies of the Cuspidal Type

We consider a multivalued function of the form $H\_{\varepsilon}=P\_{\varepsilon}^{\alpha\_0}\prod^{k}\_{i=1}P\_i^{\alpha\_i}, P\_i\in\mathbb{R}[x,y], \alpha\_i\in\mathbb{R}^{\ast}\_+$, which is a Darboux first integral of polynomial one-form $\omega=M\_{\varepsilon}\frac{dH\_{\varepsilon}}{H\_{\varepsilon}}=0, M\_{\varepsilon}=P\_{\varepsilon}\prod^{k}\_{i=1}P\_i$. We assume, for $\varepsilon=0$, that the polycyle $\{H\_0=H=0\}$ has only cuspidal singularity which we assume at the origin and other singularities are saddles. We consider families of Darboux first integrals unfolding $H\_{\varepsilon}$ (and its cuspidal point) and pseudo-Abelian integrals associated to these unfolding. Under some conditions we show the existence of uniform local bound for the number of zeros of these pseudo-Abelian integrals

Theory and computation of electromagnetic transition matrix elements in the continuous spectrum of atoms

The present study examines the mathematical properties of the free-free ( f-f) matrix elements of the full electric field operator, of the multipolar Hamiltonian. Special methods are developed and applied for their computation, for the general case where the scattering wavefunctions are calculated numerically in the potential of the term-dependent (N-1) electron core, and are energy-normalized. It is found that, on the energy axis, the f-f matrix elements of the full operator have singularities of first order in the case of equal photoelectron energies. The numerical applications are for f-f transitions in Hydrogen and Neon, obeying electric dipole and quadrupole selection rules. In the limit of zero photon wave-number, the full operator reduces to the length form of the electric dipole approximation (EDA). It is found that the results for the EDA agree with those of the full operator, with the exception of a photon wave-number region about the singularity.Comment: 39 pages, 11 figure

Computing hypergeometric functions rigorously

We present an efficient implementation of hypergeometric functions in arbitrary-precision interval arithmetic. The functions ${}_0F_1$, ${}_1F_1$, ${}_2F_1$ and ${}_2F_0$ (or the Kummer $U$-function) are supported for unrestricted complex parameters and argument, and by extension, we cover exponential and trigonometric integrals, error functions, Fresnel integrals, incomplete gamma and beta functions, Bessel functions, Airy functions, Legendre functions, Jacobi polynomials, complete elliptic integrals, and other special functions. The output can be used directly for interval computations or to generate provably correct floating-point approximations in any format. Performance is competitive with earlier arbitrary-precision software, and sometimes orders of magnitude faster. We also partially cover the generalized hypergeometric function ${}_pF_q$ and computation of high-order parameter derivatives.Comment: v2: corrected example in section 3.1; corrected timing data for case E-G in section 8.5 (table 6, figure 2); adjusted paper siz

Computing solutions of the modified Bessel differential equation for imaginary orders and positive arguments

We describe a variety of methods to compute the functions $K_{ia}(x)$, $L_{ia}(x)$ and their derivatives for real $a$ and positive $x$. These functions are numerically satisfactory independent solutions of the differential equation $x^2 w'' +x w' +(a^2 -x^2)w=0$. In an accompanying paper (Algorithm xxx: Modified Bessel functions of imaginary order and positive argument) we describe the implementation of these methods in Fortran 77 codes.Comment: 14 pages, 1 figure. To appear in ACM T. Math. Sof