𝔖 Bobbio Scriptorium
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Valence bond theory and the neglect of differential overlap

✍ Scribed by van der Lugt, W.Th.A.M.; Oosterhoff, L.J.


Book ID
118266613
Publisher
Taylor and Francis Group
Year
1970
Tongue
English
Weight
779 KB
Volume
18
Category
Article
ISSN
0026-8976

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πŸ“œ SIMILAR VOLUMES


Canonical orthonormalization and neglect
✍ Harry F. King; Marshall D. Newton; Richard E. Stanton πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 416 KB

L&din's canonical orthonormalization procedure is non-unique ifthe o-/erlap matrix has degenerate eigenvalues. A re-.cent attempt-by Roby to justify neglect of differential overlap is re-examinrd taking proper account of this lack of uniqueness. We conclude that his central result, eq. ( 6) in our p

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