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November 15, 1974The Journal of Chemical Physics

Localized molecular orbitals for polyatomic molecules. I. A comparison of the Edmiston-Ruedenberg and Boys localization methods

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Authors

DKDaniel A. KleierWilliams CollegeTHThomas A. HalgrenCalifornia Institute of TechnologyJHJohn H. HallMorehouse College

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Kleier et al. (1974) studied this question.

synapsesocial.com/papers/6a033bcc67f6ea5cc8758dfchttps://doi.org/10.1063/1.1681683
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