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Ab initio CI calculation of nuclear quadrupole coupling constants of low-lying rovibrational levels in the X 1Σ+ state of CH+

✍ Scribed by J. Fišer; J. Voitík

Book ID
107942805
Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
502 KB
Volume
171
Category
Article
ISSN
0301-0104

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Ab initio calculations of nuclear quadru
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## Abstract The ^2^H, ^6^Li, and ^7^Li quadrupole coupling constants of the low‐lying rovibrational levels in the __X__^1^∑^+^ and __A__^1^∑^+^ electronic states of ^7^Li^2^H, ^6^Li^2^H, ^7^Li^1^H, and ^6^Li^1^H are calculated from molecular wave functions which explicitly describe nuclear motion.

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Deuteron quadrupole coupling constants of rovibrational levels of HD in its X 'xl and B '1: states have been calculated from molecular wavefunctions which explicirly describe vibrational motion. The quadrupole coupling constants obtained exhibit significant vibrational and rotational dependence. A m