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A Semiempirical Treatment of molecular Structures. II. Molecular Terms and Application to diatomic Molecules

✍ Scribed by Klopman, G.


Book ID
120823136
Publisher
American Chemical Society
Year
1964
Tongue
English
Weight
871 KB
Volume
86
Category
Article
ISSN
0002-7863

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✍ A. BruceΓ±ta; P. Vermeulin; P. Archirel; G. Berthier πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 729 KB

## Abstract The exponential transformation of the molecular orbitals, that has been previously used to achieve a process with a convergence of quadratic quality in SCF closed‐shell calculations [J. Chem. Phys. **72**, 1452 (1980)] has been extended to UHF determinantal wave functions built from dif

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