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Construction of orthogonalized maximum overlap symmetry orbitals

✍ Scribed by Chang-Guo Zhan

Book ID
118389354
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
329 KB
Volume
231
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES

The generalized method for construction
The generalized method for construction of hybrid orbitals by the maximum overlap method
✍ I. Hubač; V. Laurinc; V. Kvasnička πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 840 KB

The cal&tion of the best hybrid atomic orbitale by the maximum overlap methad is elaborated fir the molecular. system ofpolycentic character. The variational procedure is used to maximize~the yeighted suti & the overlap in& gralr

Orthogonalization of overlapping orbital
Orthogonalization of overlapping orbitals by optimal polynomials. I. Polynomials constructed from spectral radii
✍ Øystein Ra πŸ“‚ Article πŸ“… 1976 πŸ› John Wiley and Sons 🌐 English βš– 624 KB

## Abstract Inverses and inverse square roots of overlap matrices are approximated by polynomials constructed on the basis of an integral transform of the metric resolvent and Kublanovskaya's conformal mapping technique. Given reasonable upper and lower bounds for the support of the overlap matrix