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On methods for converging open-shell Hartree-Fock wave-functions

✍ Scribed by Guest, M.F.; Saunders, V. R.

Book ID
118138882
Publisher
Taylor and Francis Group
Year
1974
Tongue
English
Weight
522 KB
Volume
28
Category
Article
ISSN
0026-8976

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📜 SIMILAR VOLUMES

A “Level–Shifting” method for converging
A “Level–Shifting” method for converging closed shell Hartree–Fock wave functions
✍ V. R. Saunders; I. H. Hillier 📂 Article 📅 1973 🏛 John Wiley and Sons 🌐 English ⚖ 333 KB

## Abstract A discussion of Hartree damping in closed‐shell Hartree‐Fock theory is given indicating when the method might force convergence of intrinsically divergent cases. An alternative, but closely related principle, “level shifting” is described, and the advantages of the latter procedure disc