Ab initio CI calculation of the generalized oscillator strength for four transitions of the CO molecule
โ Scribed by Lek Chantranupong; Gerhard Hirsch; K Bhanuprakash; Robert J. Buenker; Mineo Kimura; Michael A. Dillon
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 754 KB
- Volume
- 164
- Category
- Article
- ISSN
- 0301-0104
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Results from pseudopotential calculations on S-hydroxyindole, tryptamine, 5-hydroxytryptamine, 6-hydroxytryptamine and the imidazolium cation are compared to full ab-initio calculations. The localization of all molecular orbitals is found to be identical with the two methods. Orbital energies from t