Spectroscopic constants and dissociation energies for the ground states of N2, O2 and F2 determined at the CAS SCF MRCI correlation level are in excellent agreement with experiment when very large primitive valence and polarization one-particle Gaussian basis sets are employed. The dissociation ener
Accurate MR CI studies of the N2 ground state
โ Scribed by Reinhart Ahlrichs; Karol Jankowski; Jan Wasilewski
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 576 KB
- Volume
- 111
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
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