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Full-Text Articles in Atomic, Molecular and Optical Physics
Fourier Transform Of The Multicenter Product Of 1s Hydrogenic Orbitals And Coulomb Or Yukawa Potentials And The Analytically Reduced Form For Subsequent Integrals That Include Plane Waves, Jack C. Straton
Physics Faculty Publications and Presentations
The Fourier transform of the multicenter product of N 1s hydrogenic orbitals and M Coulomb or Yukawa potentials is given as an (M+N-1)-dimensional Feynman integral with external momenta and shifted coordinates. This is accomplished through the introduction of an integral transformation, in addition to the standard Feynman transformation for the denominators of the momentum representation of the terms in the product, which moves the resulting denominator into an exponential. This allows the angular dependence of the denominator to be combined with the angular dependence in the plane waves.
Fourier Transform Of The Product Of N One-Center Hydrogenic Orbitals, Jack C. Straton
Fourier Transform Of The Product Of N One-Center Hydrogenic Orbitals, Jack C. Straton
Physics Faculty Publications and Presentations
Integrating the radial part of the Fourier transform of the product of N hydrogenic orbitals results in an associated Legendre function that can be reduced to a finite series of elementary functions. This transform is found to depend on a polynomial in the wave vector k divided by a binomial in k2 raised to a power that is the sum of principle quantum numbers. This form facilitates the analytical reduction of integrals arising from orthogonalization corrections in atomic processes. Transforms for the product of orbital pairs (1s,1s) through (1s,3d) are given …