The effect of electron correlation on th
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Russell J. Boyd; Liang-Chen Wang
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Article
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1989
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John Wiley and Sons
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English
⚖ 780 KB
The topological properties of the electron density and the properties of a n atom in a molecule are calculated by means of second-order Mgller-Plesset perturbation theory (MP2) and compared with the results of configuration interaction calculations (CI2) which include all single and double substitut