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A theoretical study of the low-lying electronic states of SC3

✍ Scribed by J.R. Flores; I. Pérez Juste; L. Carballeira; C. Estévez; F. Gómez


Book ID
108312379
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
116 KB
Volume
343
Category
Article
ISSN
0009-2614

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Theoretical study of the low-lying elect
✍ M.L. Sink; A.D. Bandrauk; W.H. Henneker; H. Lefebvre-Brion; G. Raseev 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 480 KB

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 s