We demonstrate that the Cartesian multipole interaction tensor may be evaluated with recurrence relations analogous to the McMurchie-Davidson algorithm for calculation of electron repulsion integrals. With these recursion relations all elements of the Cartesian multipole tensor through order 2' may
On recurrence relations for multipole coefficients
β Scribed by R. W. James
- Publisher
- Springer
- Year
- 1967
- Tongue
- English
- Weight
- 261 KB
- Volume
- 68
- Category
- Article
- ISSN
- 0033-4533
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