Accurate internuclear potential energy functions for the ground electronic states of NeH⁺ and ArH⁺

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• 作者：John A. Coxon^a ; Photos G. Hajigeorgiou^b ; ^{Hajigeorgiou.p@unic.ac.cy}
• 关键词：Direct-potential-fit ; Rare gas hydride cations ; NeH+ ; ArH+ ; Potential energy functions ; Born-Oppenheimer breakdown
• 刊名：Journal of Molecular Spectroscopy
• 出版年：2016
• 出版时间：December 2016
• 年：2016
• 卷：330
• 期：Complete
• 页码：63-71
• 全文大小：529 K
• 卷排序：330

文摘

Direct-potential-fit analyses of the ground X1Σ+X1Σ+ electronic states of NeH+ and ArH+ are carried out. The analyses provided accurate potential energy functions for NeH+ and ArH+. Radial functions describing Born-Oppenheimer breakdown effects are furnished for both cations. Comparisons of the fitted potential energy functions are made with reliable ab initio functions. The model for the potential energy includes a full account of the known long-range behavior.