An exact coupled cluster theory for Moshinsky and Hookean two-electron model atoms with spin-compensated ground states
✍ Scribed by C. Amovilli; N.H. March
- Publisher
- Elsevier Science
- Year
- 2003
- Tongue
- English
- Weight
- 180 KB
- Volume
- 378
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The Moshinsky (M) and Hookean (H) models of two-electron atoms replace the electron-nuclear interaction by harmonic forces. The difference between them resides in the interparticle interaction, the H model retaining e 2 =r 12 as in helium, whereas the M atom is entirely harmonic. Using a Ôcoupled clusterÕ representation that W ¼ expð X X ÞU, X X is shown to be the sum of a one-body operator X X 1 and a two-body contribution X X 2 . For U taken as a product of Gaussian functions, the one-body operator X X 1 is of length scaling form. In the M model, X X 2 is proportional to r 2 12 whereas in the H model it is given explicitly as an infinite series in powers of r 12 . Finally, some comments are added about the He-like ions in the limit of large atomic number.