Exponential Correlation Functions for Two-Electron Atoms
- 15 March 1964
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 40 (6) , 1496-1497
- https://doi.org/10.1063/1.1725352
Abstract
Inclusion of an exponential term in r12 in the correlated orbital treatment of two‐electron atoms does not lead to a significant improvement in the calculated energy. However, it does cause the orbital cusp conditions to be satisfied more accurately, and at the same time, it leads to a very considerable reduction in the computing time required.Keywords
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