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Multiple solutions of unrestricted Hartree-Fock equations: The SNH+ radical as an example |
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| Authors: | P. Redondo J. R. Flores J. Largo-Cabrerizo |
| Abstract: | 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 effects and seem to be exclusive of the UHF method. Three solutions are found and studied on the basis of wave function stability tests and several conclusions about their origin are given. |
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