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On the “level-shifting” method for converging hartree-fock wave functions

✍ Scribed by Prem Kishore Mehrotra

Publisher
Springer
Year
1977
Tongue
English
Weight
238 KB
Volume
46
Category
Article
ISSN
1432-2234

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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

On the accuracy of hartree-fock wave-fun
On the accuracy of hartree-fock wave-functions
✍ D.J. Newman; M.M. Curtis 📂 Article 📅 1969 🏛 Elsevier Science 🌐 English ⚖ 289 KB

is shown. by comparison with experiment, that the use of explicit angular momentum coupling in Hartree-Fock solutions for rare-earth ions can lead to inaccurate 4f radial wave-functions beCaUSe of the neglect of intershell correlation effects.