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A comparison is presented of the energies associated with different SCF types: spin restricted, unrestricted, projected unrestricted, and extended. A method of obtaining spin-extended SCF functions is discussed. Sample calculations are done for simple hydrocarbon pi-electron radicals in the Pariser—Parr approximation, and both energies and spin densities are reported.
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Sando et al. (1967) studied this question.
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