✦ LIBER ✦

Highly accurate diatomic centrifugal distortion constants for high orders and high levels

✍ Scribed by Mahmoud Korek; Hafez Kobeissi

Publisher: John Wiley and Sons
Year: 1992
Tongue: English
Weight: 515 KB
Volume: 13
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540130909

No coin nor oath required. For personal study only.

✦ Synopsis

The problem of the computation of the Centrifugal Distortion Constants (CDC) related to a diatomic potential is considered. The analytical expressions obtained from a reformulation of the Rayleigh-Schrodinger perturbation theory are used [Kobeissi et al.,

📜 SIMILAR VOLUMES

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

Highly accurate vibration–rotation Franc

Highly accurate vibration–rotation Franck–Condon factors for high levels

✍ Mounzer Dagher; Hafez Kobeissi 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 606 KB

Highly accurate vibration-rotation Franck-Condon factors g a b , for a transition between two diatomic electronic states (a) and (b), are sought. When the potentials of states (a) and (b) are of the RKR type, the computation of gab is reduced to that of Franck-Condon integral P b ( i ) = t+' $a(r)$b