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- W2033322820 abstract "Expressions are developed for computing the centrifugal distortion constants Dv, Hv, and Lv directly from the Rydberg-Klein-Rees rotationless potential of a diatomic molecule. These expressions involve summations over integrals of the wavefunctions of all neighboring vibrational levels. Application is made to the X1Σ+ state of CO and the X3Σg− state of O2. In these applications, we have neglected the contributions of the continuum wavefunctions. For higher vibrational levels, particularly those near the dissociation limit, this approximation would be expected to fail. For the lowest vibrational levels of an electronic state, this method gives the same results for Dv, Hv, and Lv as the Dunham relations. However, for intermediate vibrational levels the present method is an improvement since expressions for only a few coefficients of the Dunham expansion are available. The use of Dv and Hv values calculated from Rydberg-Klein-Rees potentials in an iterative improvement of the reduction of spectroscopic data is described." @default.
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- W2033322820 date "1973-04-01" @default.
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- W2033322820 title "Calculation of centrifugal distortion constants for diatomic molecules from RKR potentials" @default.
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- W2033322820 doi "https://doi.org/10.1016/0022-2852(73)90024-6" @default.
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