Hartree-Fock instabilities are investigated for about 80 compounds, from acetylene to mivazerol (27 atoms) and a cluster of 18 water molecules, within a double ΞΆ basis set. For most conjugated systems, the restricted Hartree-Fock wave function of the singlet fundamental state presents an external or
Hartree Fock energy and electronic specific heat
β Scribed by W.D. Kraeft; W. Stolzmann
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 95 KB
- Volume
- 56
- Category
- Article
- ISSN
- 0375-9601
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