✦ LIBER ✦

On the low-lying electronic states of BiF

✍ Scribed by K. Balasubramanian

Publisher: Elsevier Science
Year: 1986
Tongue: English
Weight: 503 KB
Volume: 127
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(86)80290-1

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✦ Synopsis

Relativistic CI calculations

on the low-lying states of BiF(O+, 1, 2, O+ (II)) arising from the Q*P* configuration are carried out. Comparison calculations of the X-s states without spin-orbit interaction (3Z-, IX+ and 'A) are also presented. These calculations enable the assignment of three experhnentally observed low-lying states. In addition, the properties of a new state (2) are calculated (yet to be observed). The calculated dissociation energy of the ground state is 2.63 eV. The potential energy surfaces of the low-lying electronic states of BiF reveal interesting avoided crossings. Our calculations clarify the earlier assignment of the electronic transitions of BiF.

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