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
The effect of electron correlation on one-electron distributions
✍ Scribed by Russell J. Boyd
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 313 KB
- Volume
- 44
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Hartree-pock wavefunctions and good approximations to the exact wavefunctions are used to demonstrate the effect of electron correlation on the rrtditl density D(rr) and the contours of the density distribution p(rr) in the He isoehrctronic sequence. In genemi, correfation effects diminish as the charge-cloud becomes fess drffuse.
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