Fourier transforms of atomic orbitals. I. Reduction to four‐dimensional harmonics and quadratic transformations
- 1 June 1984
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 25 (6) , 941-955
- https://doi.org/10.1002/qua.560250603
Abstract
A general expression for the Fourier transform of the basis functions of exponential class has been derived. Particular cases of Slater functions, hydrogen‐like functions, Shull and Löwdin functions, Shavitt, Filter, and Steinborn functions have been considered. In many particular cases the Fourier transforms have been shown to reveal some important special properties (reduction to four‐dimensional harmonics, quadratic transformations, etc.) which considerably simplify the mathematical treatment of these functions and lead to new possibilities in the development of calculation methods for multicenter integrals.Keywords
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