✦ LIBER ✦
Convergence accelerator approach for the evaluation of some three-electron integrals containing explicit rij factors
✍ Scribed by Frederick W. King
- Publisher
- John Wiley and Sons
- Year
- 1999
- Tongue
- English
- Weight
- 151 KB
- Volume
- 72
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
A simplified analysis is presented for the evaluation of the three-electron one-center integrals of the form Hr i r j r k r l r m r n e y␣ r 1 y r 2 y␥ r 3 dr dr dr , for the cases 1 2 3 23 31 12 1 2 3 i, j, k, G y2, l s y2, m G y1, n G y1. These integrals arise in the calculation of lower bounds for energy levels and certain relativistic corrections to the energy when Hylleraas-type basis sets are employed. Convergence accelerator techniques are employed to obtain a reasonable number of digits of precision, without excessive CPU requirements.