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A solution of the Hartree—Fock integral equations for molecules

✍ Scribed by B.K. Novosadov


Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
1024 KB
Volume
54
Category
Article
ISSN
0022-2860

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Multiple solutions of unrestricted Hartr
✍ P. Redondo; J. R. Flores; J. Largo-Cabrerizo 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 583 KB

A case of appearance of multiple unrestricted Hartree-Fock (UHF) solutions in the SNH' (2A') radical is reported. This kind of solution does not arise from different electron configurations or symmetry breaking efiects and seem to be exclusive of the UHF method. Three solutions are found and studied