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Theoretical study of the low-lying electronic states of MgH

✍ Scribed by M.L. Sink; A.D. Bandrauk; W.H. Henneker; H. Lefebvre-Brion; G. Raseev

Publisher: Elsevier Science
Year: 1976
Tongue: English
Weight: 480 KB
Volume: 39
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(76)80316-8

No coin nor oath required. For personal study only.

✦ Synopsis

Ab initio CI calculations have been performed for the X * Z', A *R, and B' *Z* states of MgH, correlating ordy the three valence electrons. This procedure is found to give good agreement with experimental data. In particular, we fmd that the B' state is w&ly bound with re = 4.9 au and exhibits strong mixing with the ground state at this distance.

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