SCHEDULED MAINTENANCE:
Some possibilities and limitations of the strictly localized model of molecular wave functions are discussed in the light of CNDO/2 calculations. The analysis of non-orthogonal localized molecular orbitals obtained from usual SCF wavefunctions gives some insight into the effects omitted from the strictly localized model.
P. R. Surján, M. Révész and I. Mayer, J. Chem. Soc., Faraday Trans. 2, 1981, 77, 1129 DOI: 10.1039/F29817701129
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