On the mathematical nature of Guseinov's rearranged one-range addition theorems for Slater-type functions

DOI10.1007/s10910-011-9914-4zbMath1317.81121arXiv1107.4670MaRDI QIDQ424197

Ernst Joachim Weniger

Publication date: 31 May 2012

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1107.4670

zbMATH Keywords

power series; Laguerre expansion; addition theorem; Slater-type function

Mathematics Subject Classification ID

81Q10: Selfadjoint operator theory in quantum theory, including spectral analysis

81Q15: Perturbation theories for operators and differential equations in quantum theory

Related Items

Convergence analysis of the summation of the factorially divergent Euler series by Padé approximants and the delta transformation, Generalizations of Aitken's process for a certain class of sequences

Uses Software

• DLMF

Cites Work

• Unified treatment of complex and real rotation-angular functions for two-center overlap integrals over arbitrary atomic orbitals
• Unified treatment of complete orthonormal sets of functions in coordinate, momentum and four-dimensional spaces and their expansion and one-range addition theorems
• Accurate evaluation of overlap integrals of Slater type orbitals with noninteger principal quantum numbers using complete orthonormal sets of \(Y^{a}\) - exponential type orbitals
• Unified treatment of complete orthonormal sets of nonrelativistic, quasirelativistic and relativistic sets of spinor wave functions, and Slater spinor orbitals in coordinate, momentum and four-dimensional spaces
• Unified treatment of complete orthonormal sets for wave functions, and Slater orbitals of particles with arbitrary spin in coordinate, momentum and four-dimensional spaces
• Summation of divergent power series by means of factorial series
• Integrals of the paramagnetic contribution in the relativistic calculation of the shielding tensor
• Evaluation of potential of electric field produced by molecule using symmetrical one-range addition theorems for Coulomb-Yukawa like correlated interaction potentials of integer and noninteger indices
• Theory of complete orthonormal sets of relativistic tensor wave functions and Slater tensor orbitals of particles with arbitrary spin in position, momentum and four-dimensional spaces
• Interpolation between sequence transformations
• Is the recurrence relation for orthogonal polynomials always stable?
• Use of auxiliary functions \({Q_{ns}^q}\) and \({G_{-ns}^q}\) in evaluation of multicenter integrals over integer and noninteger \(n\)-Slater type orbitals arising in Hartree-Fock-Roothaan equations for molecules
• Unified treatment of nonrelativistic and quasirelativistic atomic integrals over complete orthonormal sets of \(\Psi^\alpha\) -exponential type orbitals
• Theory of complete orthonormal relativistic vector wave function sets and Slater type relativistic vector orbitals in coordinate, momentum and four-dimensional spaces
• Application of combined open shell Hartree-Fook-Roothaan theory to molecules using symmetrical one-range addition theorems of Slater type orbitals
• Expansion formulae for two-center charge densities of integer and noninteger \(n\) generalized exponential type orbitals applied to evaluation of multicenter multielectron integrals
• Combined theory of two- and four-component complete orthonormal sets of spinor wave functions and Slater type spinor orbitals in position, momentum and four-dimensional spaces
• Reduction of the Gibbs phenomenon for smooth functions with jumps by the \(\varepsilon \)-algorithm
• Use of Cartesian coordinates in evaluation of multicenter multielectron integrals over Slater type orbitals and their derivatives
• On the unified treatment of complete orthonormal sets of functions in coordinate, momentum, and four dimensional spaces and their expansion and one-range addition theorems
• Unified treatment of complete orthonormal sets for exponential type vector orbitals of particles with spin 1 in coordinate, momentum and four-dimensional spaces
• Bessel, sine and cosine functions and extrapolation methods for computing molecular multi-center integrals
• Evaluation of intermolecular interaction energy using one-range addition theorems for \({\psi ^\alpha}\)-ETO and Coulomb-Yukawa like correlated interaction potentials with integer and noninteger indices
• Rational approximations for the modified Bessel function of the second kind
• Extrapolation methods for improving the convergence of oligomer calculations to the infinite chain limit of quasi-one-dimensional stereoregular polymers.
• The \(\varepsilon\)-algorithm allows to detect Dirac delta functions.
• Prediction proberties of Aitken's iterated \(\Delta^2\) process, of Wynn's epsilon algorithm, and of Brezinski's iterated theta algorithm
• Extrapolation algorithms for filtering series of functions, and treating the Gibbs phenomenon
• On the summation of some divergent hypergeometric series and related perturbation expansions
• Large parameter cases of the Gauss hypergeometric function
• Analytical evaluation of multicenter multielectron integrals of central and noncentral interaction potentials over Slater orbitals using overlap integrals and auxiliary functions
• Evaluation of multicenter electronic attraction, electric field and electric field gradient integrals with screened and nonscreened Coulomb potentials over integer and noninteger \(n\) Slater orbitals
• Comment on ``Calculation of two-center nuclear attraction integrals over integer and noninteger \(n\)-Slater-type orbitals in nonlined-up coordinate systems
• Use of unsymmetrical one-range addition theorems of Slater type orbitals in molecular electronic structure determination
• Expansion formulae for two-center integer and noninteger \(n\) STO charge densities and their use in evaluation of multi-center integrals
• Calculation of multicenter electronic attraction, electric field and electric field gradient integrals of Coulomb potential over integer and noninteger \(n\) Slater orbitals
• Evaluation of two- and three-center overlap integrals over complete orthonormal sets of \(\Psi^\alpha\)-ETOs using their addition theorems
• Use of recursion and analytical relations in evaluation of hypergeometric functions arising in multicenter integrals with noninteger \(n\) Slater type orbitals
• One-range addition theorems for combined Coulomb and Yukawa like central and noncentral interaction potentials and their derivatives
• Numerical evidence that the perturbation expansion for a non-Hermitian PT-symmetric Hamiltonian is Stieltjes
• Addition theorems for B functions and other exponentially declining functions
• How well does the Hermite–Padé approximation smooth the Gibbs phenomenon?
• On the eigenfunctions of many-particle systems in quantum mechanics
• On the analyticity of Laguerre series
• Padé summability of the cubic oscillator
• Weakly convergent expansions of a plane wave and their use in Fourier integrals
• New representations for the spherical tensor gradient and the spherical delta function
• Every Power Series is a Taylor Series
• A matrix representation of the translation operator with respect to a basis set of exponentially declining functions
• Anomalous Convergence of a Continued Fraction for Ratios of Kummer Functions
• The summation of the ordinary and renormalized perturbation series for the ground state energy of the quartic, sextic, and octic anharmonic oscillators using nonlinear sequence transformations
• Analytic Atomic Wave Functions
• On the connection coefficients and recurrence relations arising from expansions in series of Laguerre polynomials
• Unified analytical treatment of multicentre electron attraction, electric field and electric field gradient integrals over Slater orbitals
• UNIFORM ASYMPTOTIC EXPANSIONS FOR HYPERGEOMETRIC FUNCTIONS WITH LARGE PARAMETERS I
• UNIFORM ASYMPTOTIC EXPANSIONS FOR HYPERGEOMETRIC FUNCTIONS WITH LARGE PARAMETERS II
• New summation technique for rapidly divergent perturbation series. Hydrogen atom in magnetic field
• Development of non-linear transformations for improving convergence of sequences
• Numerical aspects of special functions
• Mean Convergence of Expansions in Laguerre and Hermite Series
• Numerical Methods for Special Functions
• EVALUATION OF ONE- AND TWO-ELECTRON MULTICENTER INTEGRALS OF YUKAWA-LIKE SCREENED CENTRAL AND NONCENTRAL INTERACTION POTENTIALS OVER SLATER ORBITALS USING ADDITION THEOREMS
• Generalization of Laplace's Expansion to Arbitrary Powers and Functions of the Distance between Two Points
• The termination of the afferent nerve fibre in the muscle spindle of the frog
• New Developments in Molecular Orbital Theory
• Integrals Occurring in Problems of Molecular Structure
• On a Device for Computing the e m (S n ) Transformation
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item