Abstract
In range-separated functionals using basis sets of exponential functions, the Yukawa potential appears as the natural choice for the attenuated electron–electron repulsion. The development of these methods requires one- and two-center integrals involving two exponential functions and the Yukawa potential. In this work, general expressions are derived for these integrals, and stable algorithms for their efficient calculation, covering a wide range of screening parameters, are developed and tested.
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