Accurate ab initio-based analytical potential energy function for S2 (ã1Δg) via extrapolation to the complete basis set limit
Accurate ab initio-based analytical potential energy function for S2 (ã1Δg) via extrapolation to the complete basis set limit |
| Fig. 1. Comparison of the PECs of S 2 #cod#x000E3; 1 #cod#x00394; g calculated at AV6Z and extrapolated to the CBS limit using AVQ, 5Z results. |
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