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Comparison of the complete neglect of differential overlap and Mulliken semiempirical molecular orbital methods

✍ Scribed by Jesaitis, Raymond G.


Book ID
126011828
Publisher
American Chemical Society
Year
1971
Tongue
English
Weight
596 KB
Volume
93
Category
Article
ISSN
0002-7863

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On the justifiability of neglect of diff
✍ K.R. Roby πŸ“‚ Article πŸ“… 1971 πŸ› Elsevier Science 🌐 English βš– 618 KB

A theorem found recentIy is used to justify dirktly the NDDO approximate MoIecuhr hrbitai method. A simifar ,' justikation of CNDO-type methods cannot be obtained. The theorem also suggests how previous treatments based '\_ .' on a power series expansion may be generaiiscd so that divergence difficu