Expansion about an Arbitrary Point of Three-Dimensional Functions Involving Spherical Harmonics by the Fourier-Transform Convolution Theorem
- 15 July 1967
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 47 (2), 537-540
- https://doi.org/10.1063/1.1711926
Abstract
Expansion of ψ(r)=ψ(r)YLM(θ,φ) in terms of spherical harmonics and radial functions, whose coordinates are measured from an arbitrary point in space, is obtained by use of the Fourier‐transform convolution theorem. For a specific ψ(r), two integrals most be evaluated to determine the expansion explicitly: (1) the radial part of the Fourier transform of ψ(r); and (2) an integral of with spherical Bessel functions. The examples of noninteger‐n and integer‐n Slater‐type orbitals are worked out by contour integration.
Keywords
This publication has 4 references indexed in Scilit:
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- Multicenter Integrals in Quantum Mechanics. I. Expansion of Slater-Type Orbitals about a New OriginThe Journal of Chemical Physics, 1965
- Generalization of Laplace's Expansion to Arbitrary Powers and Functions of the Distance between Two PointsJournal of Mathematical Physics, 1964
- Two-Center, Nonintegral, Slater-Orbital Calculations: Integral Formulation and Application to the Hydrogen Molecule-IonThe Journal of Chemical Physics, 1962