The additivity of polarization function and electron correlation effects in ab initio molecular-orbital calculations |
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| Authors: | Ross H. Nobes Willem J. Bouma Leo Radom |
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| Affiliation: | Research School of Chemistry, Australian National University, Canberra, A.C.T. 2600, Australia |
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| Abstract: | Several examples are preseted to show that estimated third-order Møller-Plesset (MP3) relative energies obtained from schemes which assume additivity of correlation and polarization function effects are likely to provide the most reliable energy comparisons in cases where full MP3 calculations with polarization basis sets are not feasible. |
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