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Double-minimum B 1∑+ electronic state of BH: rovibrational dependence of the ab initio boron quadrupole coupling constant

✍ Scribed by J. Šavdra; J. Vojtík; I. Paidarová

Book ID
103031814
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
505 KB
Volume
182
Category
Article
ISSN
0009-2614

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✦ Synopsis

The "B quadrupole coupling constants ofrovibrational levels of "BrH in its B 'I+ state have been computed from molecular wavefunctions which explicitly describe nuclear displacement. The necessary radial rovibrational wavefunctions uere obtained by the Fourier-grid-Hamiltonian method. The double-minimum character of the potential is seen to influence profoundly the rovibrational dependence of the boron quadrupole coupling constant. The quadrupole hyperfine patterns are predicted to be markedly different from those corresponding to the previously studied Z+ states of diatomic molecules represented by singleminimum potentials -4.936 -4.

📜 SIMILAR VOLUMES

Ab initio calculation of deuteron quadru
Ab initio calculation of deuteron quadrupole coupling constants for low-lying rovibrational levels of HD in its X 1Σg+ and B 1Σu+ states
✍ J. Vojtík; I. Paidarová; V. Špirko; J. Šavrda; M. Petráš 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 483 KB

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