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Separate eigenvalue equations for the rotational constants for any potential in diatomic molecules

✍ Scribed by Hafez Kobeissi

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
283 KB
Volume
22
Category
Article
ISSN
0020-7608

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📜 SIMILAR VOLUMES

A new treatment of the vibration–Rotatio
A new treatment of the vibration–Rotation eigenvalue problem for a diatomic molecule
✍ Hafez Kobeissi; Mounzer Dagher; Mahmoud Korek; Ahmad Chaalan 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 617 KB

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;

On the diatomic vibration–rotation eigen
On the diatomic vibration–rotation eigenvalue equation: Highly accurate results for high levels
✍ Mounzer Dagher; Hafez Kobeissi 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 337 KB

Accurate vibration-rotation eigenvalues E,, are sought for very high levels (up to dissociation) of a diatomic potential. The method used is the recent "eigenvalue equation" method [Kobeissi et al., J . Comput. Chem., 4, 218 (1983)l which dissociates the determination of the eigenvalue from that of