Recurrence relations for the expansion of Slater-type orbitals about displaced centers
- 15 November 1986
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 85 (10) , 5890-5894
- https://doi.org/10.1063/1.451551
Abstract
We show here that the coefficients for the expansion of any Slater‐type function over a displaced center can be obtained by three simple (and numerically stable) recurrence relations starting at the expansion coefficients of the 1s or 2s orbitals. We present also compact (and very fast to compute) formulas for these initial quantities.Keywords
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