Theoretically calculated rovibronic transition spectra of KRb

✍ Scribed by A. Yiannopoulou; T. Leininger; A. M. Lyyra; G.-H. Jeung

• Publisher: John Wiley and Sons
• Year: 1996
• Tongue: English
• Weight: 635 KB
• Volume: 57
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/(sici)1097-461x(1996)57:4<575::aid-qua6>3.0.co;2-v

✦ Synopsis

Spectroscopic properties of all the electronic states of KRb dissociating into 4 d K ) + 5s(Rb), 4s(K) + 5p(Rb), 4p(K) + 5s(Rb), and 4s(K) + 4d(Rb) and some higher-lying excited states are studied with ab initio calculations. Spectroscopic constants, dipole moments, and the nature of the electronic wave functions for these states are reported. Intensities for the singlet-singlet and triplet-triplet transitions are theoretically calculated from the potential energy curves and the transition dipole moments 0 1996 John Wiley & Sons, Inc. vibrational energy levels can then allow one to know the locations of band heads and approximate term values. However, the Franck-Condon factors alone calculated from the PE curves are often insufficient to explain the relative intensities so that the v' and v" could be more easily identified. For highly excited electronic states, in particular, where there often occur mixtures of valence, Rydberg, and ionic natures of the electronic wave functions, the transition dipole moments may vary in large