The MC SCF procedure is utilized to determine the potential energy curves of the first two states of He; and to determine the spectroscopic constants of the ground state. The resulting spectroscopic constants are in significantly better agreement with experiment than are the predictions of prior the
The true potential energy curves of X2Σ and A2Σ states of the AlO molecule
✍ Scribed by A. Sharma
- Publisher
- Elsevier Science
- Year
- 1967
- Tongue
- English
- Weight
- 177 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0022-4073
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Introduction taneously. The HP and DF\* peaks are distinctly broader than the Ar peaks, and incipient splitting can The preceding paper [I J has presented a purely be se-en in some of the DF+ peaks. 'This is attributed theoretical (Hartree-Fock) calculation of the X\*IYI to the \*l-I,,,-\*lI a,\* sp