Calculations are reported for the ground states of H2 and H3 in which the original atomic orbital basis is tranc formed to a symmetricaliy orthonormal atomic orbital basis. Complete configuration interaction is carried out and the results arc shown to be in good ageement with ab initio calculations.
โฆ LIBER โฆ
Normal modes and ground state geometry of porphine. Evidence for dynamic instability of the D2h configuration
โ Scribed by F. Zerbetto; M.Z. Zgierski; G. Orlandi
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 491 KB
- Volume
- 139
- Category
- Article
- ISSN
- 0009-2614
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