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Use of orthogonalised atomic orbitals in π-electron systems

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Abstract

It is shown that Löwdin-orthogonalised Slater-type orbitals yield reasonable spin densities in the case of the trimethylene-methyl- and allyl radical.

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Chapman, J.A., Chong, D.P. Use of orthogonalised atomic orbitals in π-electron systems. Theoret. Chim. Acta 10, 364–366 (1968). https://doi.org/10.1007/BF00526503

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