Determination of Interatomic Potentials for the X0+, A0+, and B1 States of HgKr from Fluorescence and Excitation Spectra

Koperski, J.; Atkinson, J.B.; Krause, L.

doi:10.1006/jmsp.2001.8336

Cited by 10 publications

(4 citation statements)

References 81 publications

(106 reference statements)

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“…For Hg-Kr, the accepted value of the well depth D e in laser spectroscopy is 178 cm −1 . 46,41 The present result of 183.5 cm −1 is only 3% larger than this value. Furthermore, the present well depth fits in the overlap of the two error bars of 200Ϯ 20 cm −1 ͑Ref.…”

Section: Results and Comparison With Previous Determinationscontrasting

confidence: 76%

“…The black dots are actual ab initio data points. The present reduced potential agrees with the reduced hybrid potential ͑dashed line͒ of Ref 46. in the repulsive and potential well regions, but they differ in the long range part of the potential.…”

supporting

confidence: 86%

“…From their experimental data, Koperski et al 46 for R Ն 7.14 Å. This potential has two discontinuities ͓V͑3.55͒ = 0.2657 according to Eq.…”

Section: Results and Comparison With Previous Determinationsmentioning

confidence: 99%

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A combining rule calculation of the ground state van der Waals potentials of the mercury rare-gas complexes

Sheng

Tang

2009

The Journal of Chemical Physics

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The ground state van der Waals potentials of the Hg-RG (RG = He,Ne,Ar,Kr,Xe) systems are generated by the Tang-Toennies potential model. The parameters of the model are calculated from the potentials of the homonuclear mercury and rare-gas dimers with combining rules. The predicted spectroscopic parameters for these mercury rare-gas complexes are in good agreement with available experimental values, except for Hg-He. In the repulsive and potential well regions, the predicted potential energy curves agree with the available experimental hybrid potentials, but they differ in the long range part of the potential. On the other hand, the present potentials are in agreement with the ab initio CCSD(T) calculations in the long range part of the potential, but there are some differences in the short repulsive regions. According to the present theory, the reduced potential curves of these five systems, including Hg-He, are almost identical to each other. This reduced potential curve can also describe, within a few percent, the five reduced potentials obtained from the ab initio CCSD(T) calculations. These reduced potentials have a potential bowl that is wider than that of the rare-gas dimers, but narrower than the mercury dimer.

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Section: Results and Comparison With Previous Determinationscontrasting

confidence: 76%

supporting

confidence: 86%

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A combining rule calculation of the ground state van der Waals potentials of the mercury rare-gas complexes

Sheng

Tang

2009

The Journal of Chemical Physics

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“…whereñ = n 0 + n 1 (R/R e − 1). The M-S potential was successfully applied by Koperski (6), Koperski et al (5), and Koperski et al (7) to represent the ground-state interatomic potential of the HgAr, CdKr, and HgKr, respectively. For the M-S potential, Eq.…”

mentioning

confidence: 99%

Short-Range Characterization of the MeAr (Me=Zn, Cd) Ground-State Potentials from Fluorescence Spectra

Koperski

Czajkowski

2002

Journal of Molecular Spectroscopy

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Weakly bound mercury-noble gas adducts: Strength, range and nature of the interaction, spectroscopic and thermodynamical properties

de Oliveira,

de Jesus Melo Brasil Neta,

de Sousa Oliveira

et al. 2024

Computational and Theoretical Chemistry

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Determination of Interatomic Potentials for the X0+, A0+, and B1 States of HgKr from Fluorescence and Excitation Spectra

Cited by 10 publications

References 81 publications

A combining rule calculation of the ground state van der Waals potentials of the mercury rare-gas complexes

A combining rule calculation of the ground state van der Waals potentials of the mercury rare-gas complexes

Short-Range Characterization of the MeAr (Me=Zn, Cd) Ground-State Potentials from Fluorescence Spectra

Weakly bound mercury-noble gas adducts: Strength, range and nature of the interaction, spectroscopic and thermodynamical properties

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