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• W2079582525 endingPage "1849" @default.
• W2079582525 startingPage "1839" @default.
• W2079582525 abstract "The potential curves and spectroscopic constants of the excited states of alkali–argon diatomics MRg (M=Li, Na and K, Rg=Ar) are calculated using usual semilocal single valence electron pseudopotentials on alkali atoms [M+]-core pseudopotentials), semilocal pseudopotentials replac(ing all the electrons of argon ([Ar]-core pseudopotentials), and core polarization pseudopotentials on both centers. All states dissociating into Li(2s, 2p, 3s, 3p, 3d, 4s, and 4p), Na(3s, 3p, 3d, 4s, 4p, 4d, 5p) and K(4s, 4p, 5s, 3d, 5p, 4d, 6s, 4f, 6p, 5d, 7s, 5f) are considered. The core–core interactions for Li+Ar and Na+Ar are included using the accurate ab initio potentials of Ahmadi et al. [G. R. Ahmadi, J. Almlöf, and I. Roeggen, Chem. Phys. 199, 33 (1995); G. R. Ahmadi and I. Roeggen, J. Phys. B 27, 5603 (1994)] while the K+Ar ion data are determined by MP2 all-electron calculations." @default.
• W2079582525 created "2016-06-24" @default.
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• W2079582525 date "2002-02-01" @default.
• W2079582525 modified "2023-10-13" @default.
• W2079582525 title "One-electron pseudopotential calculations of excited states of LiAr, NaAr, and KAr" @default.
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• W2079582525 doi "https://doi.org/10.1063/1.1429247" @default.
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