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Theoretical description of nuclear quadrupole coupling in light diatomic molecules

✍ Scribed by J. Vojtík; I. Paidarová; V. Špirko; J. Śavrda; M. Petráš

Book ID
104582866
Publisher
John Wiley and Sons
Year
1990
Tongue
English
Weight
614 KB
Volume
38
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

A practical procedure for calculation of nuclear quadrupole coupling constants for light diatomic molecules is discussed. The procedure is based on a molecular wave function that explicitly describes nuclear motion. The approach is capable of yielding quadrupole coupling constants for excited rovibrational levels of diatomic molecules in their ground and excited electronic states. An application of the procedure to the X^1^Σ^+^~g~ and B^1^Σ^+^~u~ states of HD and D~2~ is presented.

📜 SIMILAR VOLUMES

Effect of nuclear volume on nuclear quad
Effect of nuclear volume on nuclear quadrupole coupling in molecules
✍ P. Pyykkö 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 237 KB

The second-order perturbation expression between the I = 0 and 2 = 2 &ms in the mukipole expansion for the electrostatic kcleus-electron interactions transforms like the Z = 2 or qundrupole term. The magnitude \* Supported by a SNordiskt docentstipendium" from Giiteborg Unfversity.