✦ LIBER ✦
Die «Self consistent field» (SCF) Wellenfunktion für BeO, berechnet mittels der Methode von J. L. MASSE
✍ Scribed by M. Bärlocher
- Publisher
- John Wiley and Sons
- Year
- 1963
- Tongue
- German
- Weight
- 711 KB
- Volume
- 46
- Category
- Article
- ISSN
- 0018-019X
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
The self consistent wavefunctions of the BeO molecule could not possibly be computed with the usual SCF Roothaan's procedure, because the SCF calculations failed to converge in this case. This is why we tried to treat this molecule with the SCF methode of J. L. Masse, which exhibits a quadratic convergence. The calculation were performed on Bull‐Gamma 60 computer and show a very good convergence.