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- W2020809108 abstract "Eight simple models of H2 in the ground state are examined through use of Dunham's formulas, numerical integration of the vibrational Schrödinger equation, and the WBK energy condition. These models provide four examples for studying the effects of variable screening and four examples for the effects of polarization on vibration-rotation properties. At small v, variability of the screening parameter α correlates with positive curvatures of the ΔG and Bv curves; i.e., for the four models with α =1 both curvatures are negative, while both curvatures are positive for the four cases with α variable. The dominance of the quartic potential coefficient a2 in determining near-equilibrium ΔG and Bv curvatures is pointed out. Near dissociation, the presence of polarization causes positive curvature of these two curves. In showing this, large fictitious values of the reduced mass are employed to provide several vibrational levels very close to the dissociation limit. The Dv curves have a pronounced minimum, similar to that of the experimental curve, for α variable but not for α =1. In addition, the values of Dv and Hv are much closer to experiment for α variable than for α =1." @default.
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- W2020809108 date "1972-08-15" @default.
- W2020809108 modified "2023-09-24" @default.
- W2020809108 title "Effects of Screening and Polarization on Vibration‐Rotation Properties of H2" @default.
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- W2020809108 doi "https://doi.org/10.1063/1.1678430" @default.
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