Abstract
A method to treat the electron correlation cusp by perturbation theory with the perturbation taken to be the short-range component of the electron-electron interaction is presented. This method is promising for the computation of highly accurate potential energy surfaces for open-shell molecular systems small enough to avoid size consistency effects.
| Original language | English |
|---|---|
| Pages (from-to) | 6411-6416 |
| Number of pages | 6 |
| Journal | Journal of Chemical Physics |
| Volume | 117 |
| Issue number | 14 |
| DOIs | |
| State | Published - Oct 8 2002 |
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