scientific article

zbMath0523.65015MaRDI QIDQ3673931

Ernst Joachim Weniger

Publication date: 1982

Title: zbMATH Open Web Interface contents unavailable due to conflicting licenses.

zbMATH Keywords

Fourier transformasymptotic behaviourconvolution integrals of B- functionsLCAO basislinear combination of atomic orbitalsmolecular calculationsmolecular Schrödinger equationsreduced Bessel function

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Computation of special functions and constants, construction of tables (65D20) Numerical solution of boundary value problems involving ordinary differential equations (65L10) Special ordinary differential equations (Mathieu, Hill, Bessel, etc.) (34B30) Bessel and Airy functions, cylinder functions, ({}_0F_1) (33C10)

Related Items

The \(HD\) and \(H\bar D\) methods for accelerating the convergence of three-center nuclear attraction and four-center two-electron Coulomb integrals over \(B\) functions and their convergence properties ⋮ Bessel, sine and cosine functions and extrapolation methods for computing molecular multi-center integrals ⋮ The Fourier transform method and the \(S\overline D\) approach for the analytical and numerical treatment of multicenter overlap-like quantum similarity integrals ⋮ Construction of new generalizations of Wynn's epsilon and rho algorithm by solving finite difference equations in the transformation order ⋮ Efficient and rapid evaluation of three-center two electron Coulomb and hybrid integrals using nonlinear transformations.