## Kohn-Sham (KS) and Hartree-Fock (HF) determinants were used as the true many-body wave functions for calculations of molecular energies, vibrational frequencies, and excited electronic states. The results justified common practice, encountered in the sum over states theories, in which these two
On the accuracy of hartree-fock wave-functions
β Scribed by D.J. Newman; M.M. Curtis
- Publisher
- Elsevier Science
- Year
- 1969
- Tongue
- English
- Weight
- 289 KB
- Volume
- 3
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
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.
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