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On the “Wolfsberg-Helmholz Conjecture” of “Extended-Hückel Theory”

✍ Scribed by Koch, Wolfhard H. G.

Book ID
120879512
Publisher
John Wiley and Sons
Year
2012
Tongue
English
Weight
178 KB
Volume
113
Category
Article
ISSN
0020-7608

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Extended Hückel theory of hydrogen-molec
Extended Hückel theory of hydrogen-molecule interactions
✍ J. M. Barriel; J. M. Riera; F. Sanz; R. Caballol; M. Vidal; R. Carbó 📂 Article 📅 1975 🏛 John Wiley and Sons 🌐 English ⚖ 371 KB

## Abstract A computational technique within the Extended Hückel frame‐work for the calculation of the hydrogen‐molecule interaction energy is described. The procedure is ten times faster than the usual diagonalization procedure. The algorithm consists of transforming the generalized secular equat