It is lown that the idea of Dacre and Eider, concerning the reduction of the two-efectron integral file by using symmetry, can be used in rel.@istic Hartree+o&--Dirac cakxhtions without reformuiation. The integral cakxafation ten remain nearly unchanged,fience~the advantages of the method are fully
Convergence properties of Hartree–Fock SCF molecular calculations
✍ Scribed by Mario A. Natiello; Gustavo E. Scuseria
- Publisher
- John Wiley and Sons
- Year
- 1984
- Tongue
- English
- Weight
- 548 KB
- Volume
- 26
- Category
- Article
- ISSN
- 0020-7608
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