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High accuracy wave functions and eigenenergies for vibration–rotation states of diatomic molecules

✍ Scribed by S. Noor Mohammad

Publisher
John Wiley and Sons
Year
1980
Tongue
English
Weight
513 KB
Volume
17
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

A solution of the wave equation for the rotational–vibrational motion in diatomic molecules with a new exponential potential function is carried out in detail. The solution gives simple expressions for the wave functions, eigenenergies, and other related spectroscopic constants. With these expressions Franck–Condon factors for the R branches of the A ^1^∑‐X ^1^∑ band system of Ca~2~, have been calculated which are in excellent agreement with experiment. Various strengths and weaknesses of the present method are also discussed.

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