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Level ordering in ferrocence. A comparision between the hartree-fock-slater and hartree-fock models

✍ Scribed by E.J. Baerends; P. Ros

Publisher: Elsevier Science
Year: 1973
Tongue: English
Weight: 246 KB
Volume: 23
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(73)85105-x

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✦ Synopsis

Hartree-Fock-Slater calculations, employing the Xtr exchange but 110 muffin-tin restrictions, NC reporte< for fcrrocene. The calculated ionization potentials and charge distribution arc compared with Hartree-Fock results and with experiment.

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