𝔖 Bobbio Scriptorium
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Variational calculation of the 1s? orbital in quasi-molecular systems

✍ Scribed by Jakuba�a, D. H.

Book ID
105183636
Publisher
Springer
Year
1978
Tongue
English
Weight
204 KB
Volume
285
Category
Article
ISSN
1434-601X

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📜 SIMILAR VOLUMES

The use of single exponential orbitals i
The use of single exponential orbitals in one-center molecular orbital calculations
✍ L. L. Combs; Carl P. Miller 📂 Article 📅 1976 🏛 John Wiley and Sons 🌐 English ⚖ 343 KB

## Abstract Single‐exponential Slater type orbitals of the form ψ~1~ = (1 + __L__~1~(__r__, θ) + __L__~2~(__r__, θ) +…︁+ __L__~__n__~(__r__, θ)) exp (− α__r__) are examined for their potential use as one‐center molecular orbitals. These are then to be used as molecular fragments in a LCMO study. Th