Abstract
The theoretical basis of the semiempirical HAM/3 MO method, recently introduced by Åsbrink et al, has been the subject of some discussion. We propose to regard the method's energy expression as a hypothesis, and mention a few implications of this proposal.
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References
Åsbrink, L., Fridh, C., Lindholm, E.: Chem. Phys. Letters 52, 63, 69, 72 (1977)
De Bruijn, S.: Chem. Phys. Letters 52, 76 (1977)
Chong, D. P.: Theoret. Chim. Acta (Berl.) (1978)
Cusachs, L. C., Corrington, J. H., in: Sinanoğlu, O., Wiberg, K. B.: Sigma molecular orbital theory (New Haven: Yale University Press 1970)
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de Bruijn, S. HAM/3: An algorithm or a theory?. Theoret. Chim. Acta 50, 313–316 (1979). https://doi.org/10.1007/BF00551338
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DOI: https://doi.org/10.1007/BF00551338