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Ab initio calculations of the electronic transition moments and radiative lifetimes in some BN band systems

✍ Scribed by K. Bhanuprakash; Robert J. Buenker

Publisher: Elsevier Science
Year: 1988
Tongue: English
Weight: 546 KB
Volume: 152
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(88)87357-3

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✦ Synopsis

Large scale ab initio wavefunctions are used to study the transition probabilities between low-lying states of the BN molcculc.

The square of the electronic transition dipole moment , 1 IR, I', is computed as a function of the Internuclear distance tkN, from which the radiative lifetimes for the low vibrational levels are calculated. Comparison is made with corresponding data for the well-studied isoelectronic system Cz.

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