Potential energies, permanent and transition dipole moments for numerous electronic excited states of NaK

被引:75
作者
Magnier, S
Aubert-Frécon, M
Millié, P
机构
[1] Inst Phys, Lab Phys Mol & Collis, F-57078 Metz 3, France
[2] Univ Lyon 1, Spectrometrie Ion & Mol Lab, UMR 5579, F-69622 Villeurbanne, France
[3] Ctr Etud Saclay, SPAM, DRECAM, F-91191 Gif Sur Yvette, France
关键词
D O I
10.1006/jmsp.1999.8023
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
Recent experimental works have been devoted to the spectroscopy of highly excited states of NaK, confirming the accuracy of our previous calculations [S. Magnier and Ph. Millie, Phys. Rev. A: Gen. Phys. 54, 204 (1996)] of spectroscopic constants and potential curves. Among them, [E. Laub, I. Mazsa, S. C. Webb, J, La Civita, I, Prodan, Z. J. Zabbour, R. K. Namiotka, and J. Huennekens, J. Mel. Spectrosc. 193, 376 (1999)] have deduced from their measurements the Variation of the transition dipole moment with the interatomic distance for the transition X(1)Sigma + --> (3)(1)Pi. They have shown that a large discrepancy was observed with the previous ab initio calculations currently used as a guide for spectroscopic experiments. Upon request of several experimentalists, we have computed again potential curves for electronic states correlated up to Na(4p) + K(4s) as well as relevant permanent and transition dipole moments. We present extensive predictions for the electronic structure of NaK (potential energies, dipole moments) for which numerical data have been listed in a data base available as supplementary data, (C) 2000 Academic Press.
引用
收藏
页码:96 / 103
页数:8
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