Abstract
A quadrature‐point‐driven implementation of the standard Rys polynomial method for computing two‐electron repulsion integrals of gaussian basis functions has been found to be both concise and openended with respect to the angular momentum of the gaussian functions (i.e., s,p,d,f,g,…). These are important features in certain applications, such as molecular properties and property gradients.
| Original language | English |
|---|---|
| Pages (from-to) | 972-977 |
| Number of pages | 6 |
| Journal | Journal of Computational Chemistry |
| Volume | 11 |
| Issue number | 8 |
| DOIs | |
| State | Published - Sep 1990 |
| Externally published | Yes |
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