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Projection of the wave function of the unlimited Hartree-Fock method on the doublet state in the case of benzyl radical

✍ Scribed by I. I. Ukrainskii; Yu. A. Kruglyak; H. Preuss; R. Yanoshek


Book ID
112364944
Publisher
Springer
Year
1974
Tongue
English
Weight
446 KB
Volume
8
Category
Article
ISSN
0040-5760

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On the accuracy of hartree-fock wave-fun
✍ D.J. Newman; M.M. Curtis πŸ“‚ Article πŸ“… 1969 πŸ› Elsevier Science 🌐 English βš– 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.