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No meaningful Mulliken analysis can be carried out on an extended GTO basis. Therefore, the one-electron eigenvectors were first projected on a contracted minimal basis using the method of R. Szokovács, J. Miró, P. Deák, and M. Pederson (unpublished).
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No meaningful Mulliken analysis can be carried out on an extended GTO basis. Therefore, the one-electron eigenvectors were first projected on a contracted minimal basis using the method of R. Szokovács, J. Miró, P. Deák, and M. Pederson (unpublished).
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