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On the diatomic vibration–rotation eigenvalue problem

✍ Scribed by H. Kobeissi


Book ID
104581677
Publisher
John Wiley and Sons
Year
1986
Tongue
English
Weight
103 KB
Volume
29
Category
Article
ISSN
0020-7608

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The problem of the determination of the vibration-rotation eigenvalue in diatomic molecules is considered. An eigenvalue equation totally independent from the eigenfunction is written for any potential, analytical or numerical. This equation uses uniquely the vibration-rotation canonical functions;

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The determination of the vibration-rotation eigenvalues (for an electronic state of a diatomic molecule) is done using various algorithms, where the differential equation y" + Rr)y = 0 (with given initial values yo and y ; at an origin ro) is to be integrated, that is, to be replaced by a "convenien