✦ LIBER ✦
One-Parameter double-zeta atomic functions for the hartree–fock energies of helium isoelectronic sequence
✍ Scribed by I. László
- Publisher
- John Wiley and Sons
- Year
- 1985
- Tongue
- English
- Weight
- 294 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
The double‐zeta atomic functions are characterized by the nuclear charge z of the two‐electron atomic system. The Hartree–Fock total energies and the corresponding orbital energies are calculated using various atomic wave functions for the helium isoelectronic sequence. The expectation values r^n^ of various wave functions are also examined. It is found that the accuracy of our one‐parameter double‐zeta functions corresponds to the accuracy of the usual five‐parameter double‐zeta functions.