An intrinsic property of the hartree-fock model?
โ Scribed by M. Cohen
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 193 KB
- Volume
- 74
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
โฆ Synopsis
The lmear relatlonshlp between e\pectatlon values Cr~,)-'ln and the nuclear charge IS shown to be a consequence of the rehablty of the screenmg approwmation for atomic properties.
๐ SIMILAR VOLUMES
Hartree-Fock-Slater calculations, employing the Xtr exchange but 110 muffin-tin restrictions, NC reporte< for fcrrocene. The calculated ionization potentials and charge distribution arc compared with Hartree-Fock results and with experiment.
The elastic constants of beryllium oxide are calculated at an ab initio all-electron Hartree-Fock level using an extended basis set. The addition of polarization functions to the oxygen basis set was necessary to obtain reasonable agreement with experiment in the case of the wurtzite structure while