## Abstract Results are reported for multiconfiguration HartreeβFock studies of correlation in the lithium ground state, which maintain orthogonality of orbitals within a configuration. It is shown that when the 1__s__β and 2__s__βorbitals are fixed at their HartreeβFock value, configurations for
β¦ LIBER β¦
The influence of linked correlation terms for the Li ground state
β Scribed by Heinz Kleindienst; Stefan Beutner
- Book ID
- 103025750
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 221 KB
- Volume
- 164
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
Using the method of superposition of correlated configurations, the contribution of linked correlation terms to the Li groundstate energy is calculated to be 14 bhartree. Consequently consideration of these terms lowered the upper bound from -7.478044 to -7.478058 hartree. This is the lowest upper bound for the Li ground state to date.
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