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The calculated electronic structure of uranium hexafluoride

✍ Scribed by Michael Boring; J.W. Moskowitz

Publisher: Elsevier Science
Year: 1976
Tongue: English
Weight: 229 KB
Volume: 38
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(76)80286-2

No coin nor oath required. For personal study only.

✦ Synopsis

Rcccived 29 Septcmbcr I975

We have coznputcd the electronic stmcture of the fret UF6 zno!eculc in both its ground and excited state configurations. 'The calculations were performed at .sever;zl internuclear distances (but maintaining 01, symznciry) using the non-relativistic znuItiple scattering Xru znethod. The computed equilibrium distance (-2.00 A) and ionization cncrgy (= 13.0 cV) arc in gu:ood agccmcnt with cxpcrimcntnl data. The computed ch:argc tmnsfcr excitations correlate fnvorahly with the IJV absorp tion spcctruzn of UF6.

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